Methyl 2-(2-fluorophenyl)-2-methylpropanoate

HCID 57421199
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Basic information

CAS
861901-19-1
Standard SMILES
COC(=O)C(C)(C)c1ccccc1F
InChIKey
IVXWKJKRFOKJOX-UHFFFAOYSA-N
Molecular formula
C11H13FO2
Average molar mass
196.22 g/mol
Monoisotopic mass
196.08995782

Names & identifiers

Preferred name
Methyl 2-(2-fluorophenyl)-2-methylpropanoate
IUPAC
methyl 2-(2-fluorophenyl)-2-methylpropanoate
English name
2-(2-Fluoro-phenyl)-2-Methylpropionic acid Methyl ester
Molecular formula
C11H13FO2
Molecular weight
196.22

Names & synonyms

Methyl 2-(2-fluorophenyl)-2-methylpropanoate861901-19-1MFCD131842502-(2-Fluoro-phenyl)-2-methylpropionic acid methyl esterSCHEMBL1239033DTXSID70726301IVXWKJKRFOKJOX-UHFFFAOYSA-NBenzeneacetic acid, 2-fluoro-alpha,alpha-dimethyl-, methyl esterHS-3591DB-096167CS-0209898Methyl2-(2-fluorophenyl)-2-methylpropanoate
Show more names
Benzeneacetic acid, 2-fluoro-α,α-dimethyl-, methyl ester
methyl 2-(2-fluorophenyl)-2-methylpropionatemethyl 2-(2-fluorophenyl)-2-methyl-propanoateF304007

Database identifiers

CAS
861901-19-1
PubChem CID
57421199
DTXSID
DTXSID70726301

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2916399090 · 2916399090

Safety & regulation

Safety data

hs_code
2916399090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers10 total

苏州施亚生物科技有限公司17715136450 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]

Related reactions

10 records
New reaction record

Compound notes

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