1-bromo-4-[(difluoromethyl)sulfanyl]benzene

1-bromo-4-[(difluoromethyl)sulfanyl]benzene

CAS: 4837-14-3

Formula: C7H5BrF2S

SMILES: FC(F)SC1=CC=C(Br)C=C1

IUPAC: 1-bromo-4-[(difluoromethyl)sulfanyl]benzene

InChI: InChI=1S/C7H5BrF2S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H

Composition: C (35.17%), H (2.11%), Br (33.42%), F (15.89%), S (13.41%)

Molar Mass: 239.08

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.926341
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	CPHVJEPYGKUFIB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.62
Topological Polar Surface Area	0
Polarizability	17.7
Ring Count	1
Rotatable Bond Count	2

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