1-bromo-2-fluoro-4-(trifluoromethyl)benzene

1-bromo-2-fluoro-4-(trifluoromethyl)benzene

CAS: 40161-54-4

Formula: C7H3BrF4

SMILES: FC1=CC(=CC=C1Br)C(F)(F)F

IUPAC: 1-bromo-2-fluoro-4-(trifluoromethyl)benzene

InChI: InChI=1S/C7H3BrF4/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

Composition: C (34.60%), H (1.24%), Br (32.88%), F (31.27%)

Molar Mass: 242.999

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.935426
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	XCTQZIUCYJVRLJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.87
Topological Polar Surface Area	0
Polarizability	14.65
Ring Count	1
Rotatable Bond Count	1

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