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86030-08-2 | 4-Chloro-2-nitro-1-(phenylsulfonyl)benzene
CAS No: 86030-08-2 Catalog No: AG004V37 MDL No:MFCD00052250
Product Description
Catalog Number:
AG004V37
Chemical Name:
4-Chloro-2-nitro-1-(phenylsulfonyl)benzene
CAS Number:
86030-08-2
Molecular Formula:
C12H8ClNO4S
Molecular Weight:
297.7142
MDL Number:
MFCD00052250
IUPAC Name:
1-(benzenesulfonyl)-4-chloro-2-nitrobenzene
InChI:
InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H
InChI Key:
VZDUQPHKUBZMLW-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)c1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.986g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.709g/mol
Monoisotopic Mass:
296.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Diarylsulfones, a novel class of human immunodeficiency virus type 1 integrase inhibitors. | Antimicrobial agents and chemotherapy 19970201 |
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