2,3-dichloro-6-(trifluoromethyl)benzoic acid

2,3-dichloro-6-(trifluoromethyl)benzoic acid

CAS: 25922-43-4

Formula: C8H3Cl2F3O2

SMILES: OC(=O)C1=C(Cl)C(Cl)=CC=C1C(F)(F)F

IUPAC: 2,3-dichloro-6-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H3Cl2F3O2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H,14,15)

Composition: C (37.10%), H (1.17%), Cl (27.37%), F (22.01%), O (12.35%)

Molar Mass: 259.01

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.9462192
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BHQKUOSDTCYXEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.9
Topological Polar Surface Area	37.3
Polarizability	18.1
Ring Count	1
Rotatable Bond Count	2

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