4-bromo-2-(trifluoromethyl)benzoyl chloride

4-bromo-2-(trifluoromethyl)benzoyl chloride

CAS: 104356-17-4

Formula: C8H3BrClF3O

SMILES: FC(F)(F)C1=CC(Br)=CC=C1C(Cl)=O

IUPAC: 4-bromo-2-(trifluoromethyl)benzoyl chloride

InChI: InChI=1S/C8H3BrClF3O/c9-4-1-2-5(7(10)14)6(3-4)8(11,12)13/h1-3H

Composition: C (33.43%), H (1.05%), Br (27.80%), Cl (12.33%), F (19.83%), O (5.57%)

Molar Mass: 287.46

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.90079
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SPIPCSMQAATVLA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.77
Topological Polar Surface Area	17.07
Polarizability	18.64
Ring Count	1
Rotatable Bond Count	2

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