C1=CC=C(C(=C1)C(=O)O)Cl
CAS: 118-91-2
Nombre: 2-chlorobenzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)Cl

Molecular Processing

Molecular formula
C7H5ClO2
Molecular weight
156.57
Exact mass
155.9978
XLogP
2.04
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
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
Molar refractivity
38.41

Supplementary Information

InChIKey: IKCLCGXPQILATA-UHFFFAOYSA-N
Sinónimos
2-Chlorobenzoic acid118-91-2O-CHLOROBENZOIC ACIDBenzoic acid, 2-chloro-2-CbaBenzoic acid, o-chloro-Kyselina o-chlorbenzoovaDTXSID4024771NSC-15042DTXCID3047718P0867193VCHEBI:30793R300100RefChem:855217204-285-4CHLOROBENZOIC ACIDOCBAMFCD00002412Kyselina o-chlorbenzoova [Czech]NSC 150422-chloro-benzoic acid26264-09-5Benzoic acid, chloro-WLN: QVR BGCCRIS 5993HSDB 6017EINECS 204-285-4BRN 0907340AI3-03714UNII-8P0867193V
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