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

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

CAS: 1075753-27-3

Formula: C8H4ClF3N2

SMILES: FC(F)(F)C1=C2N=C(Cl)NC2=CC=C1

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

InChI: InChI=1S/C8H4ClF3N2/c9-7-13-5-3-1-2-4(6(5)14-7)8(10,11)12/h1-3H,(H,13,14)

Composition: C (43.56%), H (1.83%), Cl (16.07%), F (25.84%), N (12.70%)

Molar Mass: 220.58

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	220.0015103
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KMDQLFANQXPHKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.97
Topological Polar Surface Area	28.68
Polarizability	17.78
Ring Count	2
Rotatable Bond Count	1

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