2-nitro-4-(trifluoromethoxy)phenol

2-nitro-4-(trifluoromethoxy)phenol

CAS: 129644-56-0

Formula: C7H4F3NO4

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

IUPAC: 2-nitro-4-(trifluoromethoxy)phenol

InChI: InChI=1S/C7H4F3NO4/c8-7(9,10)15-4-1-2-6(12)5(3-4)11(13)14/h1-3,12H

Composition: C (37.68%), H (1.81%), F (25.55%), N (6.28%), O (28.68%)

Molar Mass: 223.107

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.009242102
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FNQAEUBXLFDRKW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.43
Topological Polar Surface Area	72.6
Polarizability	15.2
Ring Count	1
Rotatable Bond Count	3

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