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N-(3-fluoro-2-methylphenyl)acetamide

HCID 1489284
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
322-33-8
Standard SMILES
CC(=O)Nc1cccc(F)c1C
InChIKey
DRWDVKWDDZYKLW-UHFFFAOYSA-N
Molecular formula
C9H10FNO
Average molar mass
167.18 g/mol
Monoisotopic mass
167.07464216

Names & identifiers

Preferred name
N-(3-fluoro-2-methylphenyl)acetamide
IUPAC
N-(3-fluoro-2-methylphenyl)acetamide
English name
N-(3-Fluoro-2-methylphenyl)acetamide
Molecular formula
C9H10FNO
Molecular weight
167.18

Names & synonyms

N-(3-fluoro-2-methylphenyl)acetamide322-33-8DTXSID80363403RefChem:361355DTXCID80314450Acetamide, N-(3-fluoro-2-methylphenyl)-MFCD03787362N-acetyl-2-methyl-3-fluoroaniline2-Acetamino-6-fluorotolueneSCHEMBL863826SCHEMBL6604350SCHEMBL30002532
Show more names
3-fluoro-2-methylphenylacetamide
DRWDVKWDDZYKLW-UHFFFAOYSA-N3-fluoro-2-methyl-N-acetylanilineSBB088081AKOS005071436SY229648CS-0333029H790419R-0632

Database identifiers

CAS
322-33-8
PubChem CID
1489284
DTXSID
DTXSID80363403

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
172

Physicochemical properties

Melting point
132 · 132-133°
Boiling point
280.477 · 280.477±28.00 °C(Press: 760.00 Torr)(predicted)
Density
1.169 · 1.169±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
14.344 · 14.344±0.70(predicted)
HazardClass
IRRITANT
HS Code
2928009090 · 2928009090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2928009090
hazard_class
IRRITANT

Chemistry & industry

Suppliers13 total

安徽合诺生物科技有限公司0555-2761852
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
安徽合诺生物科技有限公司18455579438
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
含山捷化生物科技有限公司0555-18055517827 18055517827 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Related reactions

19 records
New reaction record
HRID 87042 reaction equation
HRID 87042As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 291773 reaction equation
HRID 291773As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 430998 reaction equation
HRID 430998As productuspto-grants-2003_12
HRID 501630 reaction equation
HRID 501630As productuspto-grants-2010_08
HRID 501631 reaction equation
HRID 501631As reactantuspto-grants-2010_08
HRID 751145 reaction equation
HRID 751145As productuspto-grants-2008_07
HRID 751146 reaction equation
HRID 751146As reactantuspto-grants-2008_07
HRID 833896 reaction equation
HRID 833896As productTest data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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