2-hydroxy-4-(trifluoromethyl)benzonitrile

2-hydroxy-4-(trifluoromethyl)benzonitrile

CAS: 81465-88-5

Formula: C8H4F3NO

SMILES: OC1=CC(=CC=C1C#N)C(F)(F)F

IUPAC: 2-hydroxy-4-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-5(4-12)7(13)3-6/h1-3,13H

Composition: C (51.35%), H (2.15%), F (30.46%), N (7.49%), O (8.55%)

Molar Mass: 187.121

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.024498242
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PAPVLFUKQAEGSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.73
Topological Polar Surface Area	44.02
Polarizability	14.07
Ring Count	1
Rotatable Bond Count	1

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