C1=CC(=C(N=C1)Cl)CC(=O)O
CAS: 61494-55-1
Name: 2-(2-chloro-3-pyridinyl)acetic acid
SMILES: C1=CC(=C(N=C1)Cl)CC(=O)O

Molecular Processing

Molecular formula
C7H6ClNO2
Molecular weight
171.58
Exact mass
171.0087
XLogP
1.36
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
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
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
40.59

Supplementary Information

InChIKey: NOASBJYTBZMVKT-UHFFFAOYSA-N
Synonyme
2-(2-Chloropyridin-3-yl)acetic acidRefChem:453712869-712-461494-55-12-CHLORO-3-PYRIDINEACETIC ACIDMFCD097575122-CHLOROPYRIDINE-3-ACETIC ACID(2-Chloropyridin-3-yl)acetic acid2-Chloro-pyridine-3-yl-acetic acid2-(2-chloro-3-pyridyl)acetic acid3-Pyridineacetic acid, 2-chloro-2-chloropyridylacetic acid(2-CHLORO-PYRIDIN-3-YL)-ACETIC ACIDSCHEMBL950737SCHEMBL29431315DTXSID80563461(2-Chloro-3-pyridyl)acetic AcidNOASBJYTBZMVKT-UHFFFAOYSA-NLCA494552-(2-Chloropyridin-3-yl)aceticacidAKOS006328608DS-6531PB10699SY096906CS-0043768EN300-114828F049277F9994-5197
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