CC1=C(C=CC=C1Cl)C(=O)O
CAS: 7499-08-3
Name: 3-chloro-2-methylbenzoic acid
SMILES: CC1=C(C=CC=C1Cl)C(=O)O

Molecular Processing

Molecular formula
C8H7ClO2
Molecular weight
170.59
Exact mass
170.0135
XLogP
2.35
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
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
43.15

Supplementary Information

InChIKey: HXGHMCLCSPQMOR-UHFFFAOYSA-N
Synonyme
3-Chloro-2-methylbenzoic acid7499-08-3DTXSID30225946RefChem:934053-CMBADTXCID60148437626-731-03-Chloro-o-toluic acid3-Chloro-2-methyl-benzoic acidBenzoic acid, 3-chloro-2-methyl-MFCD00053312o-Toluic acid, 3-chloro-3-Chloro-2-methyl benzoic acid3-Chloro-2-methylbenzoicacid2-methyl-3-chlorobenzoic acidNSC 407522BRN 10728263-Chloro-2-toluic acidSCHEMBL995353chloro-2-methylbenzoic acid3-chloro-2-methybenzoic acidSCHEMBL4450233SCHEMBL84820042-methyl-3-chloro-benzoic acidSCHEMBL29656832NSC407522SBB0630723-Chloro-2-methylbenzoic acid, 98%AKOS005258513AC-5777
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