3-nitro-5-(trifluoromethyl)phenol

3-nitro-5-(trifluoromethyl)phenol

CAS: 349-57-5

Formula: C7H4F3NO3

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

IUPAC: 3-nitro-5-(trifluoromethyl)phenol

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