COC(=O)Cc1ccc(Cl)cc1
CAS: 52449-43-1
Name: methyl 2-(4-chlorophenyl)acetate
SMILES: COC(=O)Cc1ccc(Cl)cc1

Molecular Processing

Molecular formula
C9H9ClO2
Molecular weight
184.62
Exact mass
184.0291
XLogP
2.06
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
47.17

Supplementary Information

InChIKey: WWIYGBWRUXQDND-UHFFFAOYSA-N
Synonyme
Methyl 4-chlorophenylacetate52449-43-1Benzeneacetic acid, 4-chloro-, methyl esterEINECS 257-927-0DTXSID60200448RefChem:816366DTXCID60122939257-927-0methyl 2-(4-chlorophenyl)acetateMethyl (4-chlorophenyl)acetateMFCD00032743(4-Chlorophenyl)acetic Acid Methyl Ester(4-Chloro-phenyl)-acetic acid methyl estermethyl(4-chlorophenyl)acetate4-Chlorophenylacetic acid methyl estermethyl p-chlorophenylacetateMethyl 4-Chlorophenyl acetateSCHEMBL191324SCHEMBL5454115methyl-(4-chlorophenyl)-acetateSCHEMBL15514077Methyl (4-chlorophenyl)acetate #methyl-2-(4-chlorophenyl)acetateAKOS000295887CS-W022850FM38780SY051360(4-chlorophenyl)-acetic acid methyl ester4-chloro-2-phenyl-acetic acid methyl esterDB-013347
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