N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

HCID 6461606
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Basic information

CAS
344-53-6
Standard SMILES
CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIKey
IZNOWIFMPCHWNZ-UHFFFAOYSA-N
Molecular formula
C9H7ClF3NO
Average molar mass
237.6 g/mol
Monoisotopic mass
237.01682618

Names & identifiers

Preferred name
N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
IUPAC
N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
English name
N-(4-Chloro-2-trifluoroMethyl-phenyl)-acetaMide
Molecular formula
C9H7ClF3NO
Molecular weight
237.61

Names & synonyms

344-53-6N-[4-chloro-2-(trifluoromethyl)phenyl]acetamideN-(4-Chloro-2-(trifluoromethyl)phenyl)acetamideN-(4-Chloro-2-trifluoromethyl-phenyl)-acetamideMFCD08069858n-(4-chloro-2-trifluoromethylphenyl)acetamideAcetamide, N-[4-chloro-2-(trifluoromethyl)phenyl]-SCHEMBL7573311DTXSID60424223HMS1604D192-acetamido-5-chlorobenzotrifluorideGEO-03588
Show more names
AKOS000390002HS-3586CS-0362261G11017

Database identifiers

CAS
344-53-6
PubChem CID
6461606
DTXSID
DTXSID60424223
Nikkaji
J1.604.615I

Properties

Computed structural properties

XLogP
2
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
15

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
LogP1.98

Physicochemical properties

Melting point
148 °C · 148 °C
Boiling point
312.2 · 312.2±42.0 °C(Predicted)
Density
1.414 · 1.414±0.06 g/cm3(Predicted)
pka
13.48 · 13.48±0.70(Predicted)

Chemistry & industry

Suppliers5 total

苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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