5-(trifluoromethyl)-1H-1,2,3-benzotriazole

5-(trifluoromethyl)-1H-1,2,3-benzotriazole

CAS: 1548-67-0

Formula: C7H4F3N3

SMILES: FC(F)(F)C1=CC=C2NN=NC2=C1

IUPAC: 5-(trifluoromethyl)-1H-1,2,3-benzotriazole

InChI: InChI=1S/C7H4F3N3/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H,(H,11,12,13)

Composition: C (44.93%), H (2.15%), F (30.46%), N (22.46%)

Molar Mass: 187.125

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	187.03573163
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GLSKMRNRRMNAQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.03
Topological Polar Surface Area	41.57
Polarizability	14.94
Ring Count	2
Rotatable Bond Count	1

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