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2,4,6-trichlorobenzoic acid

2,4,6-trichlorobenzoic acid

CAS: 50-43-1

Formula: C7H3Cl3O2

SMILES: OC(=O)C1=C(Cl)C=C(Cl)C=C1Cl

IUPAC: 2,4,6-trichlorobenzoic acid

InChI: InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)

Composition: C (37.29%), H (1.34%), Cl (47.17%), O (14.19%)

Molar Mass: 225.45

Atom Count: 15

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 223.9198624
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RAFFVQBMVYYTQS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.73
Topological Polar Surface Area 37.3
Polarizability 18.55
Ring Count 1
Rotatable Bond Count 1

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