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1-methanesulfonyl-4-nitrobenzene

1-methanesulfonyl-4-nitrobenzene

CAS: 2976-30-9

Formula: C7H7NO4S

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

IUPAC: 1-methanesulfonyl-4-nitrobenzene

InChI: InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

Composition: C (41.79%), H (3.51%), N (6.96%), O (31.81%), S (15.93%)

Molar Mass: 201.2

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.009578883
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XONGBDXIFQIQBN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.38
Topological Polar Surface Area 77.28
Polarizability 18.29
Ring Count 1
Rotatable Bond Count 2

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