C1=CC(=C(C(=C1)Cl)C(=O)O)Cl
CAS: 50-30-6
Name: 2,6-dichlorobenzoic acid
SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)Cl

Molecular Processing

Molecular formula
C7H4Cl2O2
Molecular weight
191.01
Exact mass
189.9588
XLogP
2.69
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
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
43.42

Supplementary Information

InChIKey: MRUDNSFOFOQZDA-UHFFFAOYSA-N
Synonyme
2,6-DICHLOROBENZOIC ACIDBenzoic acid, 2,6-dichloro-EINECS 200-025-9DTXSID0024979NSC 76599UNII-634RI764QTBRN 0973858CCRIS 8610AI3-33337634RI764QTNSC-76599DTXCID904979CHEBI:486234-09-00-01005 (Beilstein Handbook Reference)RefChem:83182BENZOIC ACID,2,6-DICHLORO MFC7 H4 O2 CL2200-025-9InChI=1/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11MRUDNSFOFOQZDA-UHFFFAOYSA-N50-30-6MFCD000024182,6-dichloro-benzoic acidMLS002454359SMR0013719852,6-Dichlorobenzoicaciddichlobenil TP22,6 dichlorobenzoic acid2.6-dichlorobenzoic acidBenzoic acid,6-dichloro-WLN: QVR BG FG
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