5-nitro-2-(trifluoromethyl)phenol

5-nitro-2-(trifluoromethyl)phenol

CAS: 612498-85-8

Formula: C7H4F3NO3

SMILES: OC1=C(C=CC(=C1)[N+]([O-])=O)C(F)(F)F

IUPAC: 5-nitro-2-(trifluoromethyl)phenol

InChI: InChI=1S/C7H4F3NO3/c8-7(9,10)5-2-1-4(11(13)14)3-6(5)12/h1-3,12H

Composition: C (40.60%), H (1.95%), F (27.52%), N (6.76%), O (23.17%)

Molar Mass: 207.108

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.014327482
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MAYPOULSOMISHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.33
Topological Polar Surface Area	63.37
Polarizability	14.38
Ring Count	1
Rotatable Bond Count	2

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90%	<2 Days	612498-85-8		$51.35-$86.31$51.35$63.37$86.31