2-nitrophenyl trifluoromethanesulfonate

2-nitrophenyl trifluoromethanesulfonate

CAS: 132993-22-7

Formula: C7H4F3NO5S

SMILES: [O-][N+](=O)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F

IUPAC: 2-nitrophenyl trifluoromethanesulfonate

InChI: InChI=1S/C7H4F3NO5S/c8-7(9,10)17(14,15)16-6-4-2-1-3-5(6)11(12)13/h1-4H

Composition: C (31.01%), H (1.49%), F (21.02%), N (5.17%), O (29.50%), S (11.82%)

Molar Mass: 271.17

Atom Count: 21

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.976227896
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XGEKGCZJDVVOJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.56
Topological Polar Surface Area	86.51
Polarizability	18.85
Ring Count	1
Rotatable Bond Count	4

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