2-nitro-4-[(trifluoromethyl)sulfanyl]phenol

2-nitro-4-[(trifluoromethyl)sulfanyl]phenol

CAS: 933673-33-7

Formula: C7H4F3NO3S

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

IUPAC: 2-nitro-4-[(trifluoromethyl)sulfanyl]phenol

InChI: InChI=1S/C7H4F3NO3S/c8-7(9,10)15-4-1-2-6(12)5(3-4)11(13)14/h1-3,12H

Composition: C (35.15%), H (1.69%), F (23.83%), N (5.86%), O (20.07%), S (13.40%)

Molar Mass: 239.17

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.986398656
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NOMKRMHMFZTWBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.34
Topological Polar Surface Area	63.37
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	3

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