CAS: 2444-36-2
名称: 2-(2-chlorophenyl)acetic acid
SMILES:
C1=CC=C(C(=C1)CC(=O)O)ClMolecular 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: IUJAAIZKRJJZGQ-UHFFFAOYSA-N
同義語
2-CHLOROPHENYLACETIC ACID2444-36-2o-Chlorophenylacetic acid(2-Chlorophenyl)acetic acidBenzeneacetic acid, 2-chloro-(o-Chlorophenyl)acetic acidAcetic acid, (o-chlorophenyl)-NSC 46137BF49L8BR5CCRIS 8621NSC-4613EINECS 219-482-0AI3-20877DTXSID50179194RefChem:855222DTXCID80101685Benzeneacetic acid, 2-chloro-(9CI)Acetic acid, (o-chlorophenyl)-(8CI)219-482-0InChI=1/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,112-(2-chlorophenyl)acetic acidMFCD000043172-Chlorophenylaceticacid2-chlorobenzeneacetic acido-chlorophenyl acetic acid2-chloro-benzeneacetic acid(2-Chlorophenyl)acetic Acid; (o-Chlorophenyl)acetic Acid; 2-(o-Chlorophenyl)ethanoic Acid; 2-Chlorobenzeneacetic Acid; NSC 4613; o-Chlorobenzeneacetic Acidchlorobenzene-acetic acido-chlorophenyl-acetic acidUNII-7BF49L8BR5
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