2-bromo-1-(difluoromethyl)-4-methylbenzene

2-bromo-1-(difluoromethyl)-4-methylbenzene

CAS: 1261876-58-7

Formula: C8H7BrF2

SMILES: CC1=CC(Br)=C(C=C1)C(F)F

IUPAC: 2-bromo-1-(difluoromethyl)-4-methylbenzene

InChI: InChI=1S/C8H7BrF2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,8H,1H3

Composition: C (43.47%), H (3.19%), Br (36.15%), F (17.19%)

Molar Mass: 221.045

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.96992
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	DWLKCDAUURGJPK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.81
Topological Polar Surface Area	0
Polarizability	16.39
Ring Count	1
Rotatable Bond Count	1

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