C1=CC(=CC=C1CC(=O)O)Cl
CAS: 1878-66-6
Name: 2-(4-chlorophenyl)acetic acid
SMILES: C1=CC(=CC=C1CC(=O)O)Cl

Molecular Processing

Molecular formula
C8H7ClO2
Molecular weight
170.59
Exact mass
170.0135
XLogP
1.97
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
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
0.125
Molar refractivity
42.79

Supplementary Information

InChIKey: CDPKJZJVTHSESZ-UHFFFAOYSA-N
Synonyms
4-Chlorophenylacetic acid1878-66-62-(4-chlorophenyl)acetic acid(4-Chlorophenyl)acetic acidBenzeneacetic acid, 4-chloro-P-CHLOROPHENYLACETIC ACID2-(p-Chlorophenyl)acetic acidDTXSID7062031CHEBI:30749RefChem:98605DTXCID8035926217-521-64-Chlorobenzeneacetic acid(p-Chlorophenyl)acetic acidAcetic acid, (p-chlorophenyl)-MFCD00004344NSC-14285LLQ6PU28WR(4-chloro-phenyl)-acetic acidEINECS 217-521-6NSC 14285p-chlorophenyl acetic acidBRN 1072816CCRIS 86224chlorophenylacetic acid4-chiorophenylacetic acidUNII-LLQ6PU28WR4-chlorophenyl-acetic acidbmse000395para-chlorophenyl acetic acid
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Involved in 294 reactions→

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