4-fluoro-1-methanesulfonyl-2-nitrobenzene

4-fluoro-1-methanesulfonyl-2-nitrobenzene

CAS: 518990-79-9

Formula: C7H6FNO4S

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

IUPAC: 4-fluoro-1-methanesulfonyl-2-nitrobenzene

InChI: InChI=1S/C7H6FNO4S/c1-14(12,13)7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

Composition: C (38.36%), H (2.76%), F (8.67%), N (6.39%), O (29.20%), S (14.63%)

Molar Mass: 219.19

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.000157014
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DIUCTHUYGZNUJD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.6
Topological Polar Surface Area	77.28
Polarizability	18.12
Ring Count	1
Rotatable Bond Count	2

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