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10149-38-9

10149-38-9 | Benzene, 1-[(2,2-dichloroethyl)sulfonyl]-3-nitro-

CAS No: 10149-38-9 Catalog No: AG0004LU MDL No:

Product Description

Catalog Number:
AG0004LU
Chemical Name:
Benzene, 1-[(2,2-dichloroethyl)sulfonyl]-3-nitro-
CAS Number:
10149-38-9
Molecular Formula:
C8H7Cl2NO4S
Molecular Weight:
284.1165
IUPAC Name:
1-(2,2-dichloroethylsulfonyl)-3-nitrobenzene
InChI:
InChI=1S/C8H7Cl2NO4S/c9-8(10)5-16(14,15)7-3-1-2-6(4-7)11(12)13/h1-4,8H,5H2
InChI Key:
NOPMJVGIXPLFER-UHFFFAOYSA-N
SMILES:
ClC(CS(=O)(=O)c1cccc(c1)[N+](=O)[O-])Cl

Properties

Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.947g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.107g/mol
Monoisotopic Mass:
282.947g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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