4-bromo-2-(trifluoromethyl)-1H-1,3-benzodiazole

4-bromo-2-(trifluoromethyl)-1H-1,3-benzodiazole

CAS: 6587-23-1

Formula: C8H4BrF3N2

SMILES: FC(F)(F)C1=NC2=C(Br)C=CC=C2N1

IUPAC: 4-bromo-2-(trifluoromethyl)-1H-1,3-benzodiazole

InChI: InChI=1S/C8H4BrF3N2/c9-4-2-1-3-5-6(4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)

Composition: C (36.26%), H (1.52%), Br (30.15%), F (21.50%), N (10.57%)

Molar Mass: 265.033

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	263.950996
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	MWSWJWXZVTVPEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.04
Topological Polar Surface Area	28.68
Polarizability	18.83
Ring Count	2
Rotatable Bond Count	1

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90%	<2 Days	6587-23-1		$51.35-$86.31$51.35$63.37$86.31