Home Sulfos 1-Chloro-2-nitro-4-(phenylsulfonyl)benzene

1-Chloro-2-nitro-4-(phenylsulfonyl)benzene

CAS No.:
4779-36-6
Catalog Number:
AG00DB51
Molecular Formula:
C12H8ClNO4S
Molecular Weight:
297.7142
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Product Description
Catalog Number:
AG00DB51
Chemical Name:
1-Chloro-2-nitro-4-(phenylsulfonyl)benzene
CAS Number:
4779-36-6
Molecular Formula:
C12H8ClNO4S
Molecular Weight:
297.7142
MDL Number:
MFCD22123586
IUPAC Name:
4-(benzenesulfonyl)-1-chloro-2-nitrobenzene
InChI:
InChI=1S/C12H8ClNO4S/c13-11-7-6-10(8-12(11)14(15)16)19(17,18)9-4-2-1-3-5-9/h1-8H
InChI Key:
RUZCDLMYLTUSGB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)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:
3.1  
Properties