2-bromo-6-chloro-4-(trifluoromethyl)-1,3-benzothiazole

2-bromo-6-chloro-4-(trifluoromethyl)-1,3-benzothiazole

CAS: 1190311-64-8

Formula: C8H2BrClF3NS

SMILES: FC(F)(F)C1=C2N=C(Br)SC2=CC(Cl)=C1

IUPAC: 2-bromo-6-chloro-4-(trifluoromethyl)-1,3-benzothiazole

InChI: InChI=1S/C8H2BrClF3NS/c9-7-14-6-4(8(11,12)13)1-3(10)2-5(6)15-7/h1-2H

Composition: C (30.36%), H (0.64%), Br (25.24%), Cl (11.20%), F (18.01%), N (4.43%), S (10.13%)

Molar Mass: 316.52

Atom Count: 17

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	314.873195
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	YELMBXOSQSDGMC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.53
Topological Polar Surface Area	12.89
Polarizability	21.97
Ring Count	2
Rotatable Bond Count	1

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