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86434-29-9 | Benzene, 1-chloro-2-nitro-3-[(phenylsulfonyl)methyl]-
CAS No: 86434-29-9 Catalog No: AG004QV7 MDL No:
Product Description
Catalog Number:
AG004QV7
Chemical Name:
Benzene, 1-chloro-2-nitro-3-[(phenylsulfonyl)methyl]-
CAS Number:
86434-29-9
Molecular Formula:
C13H10ClNO4S
Molecular Weight:
311.7408
IUPAC Name:
1-(benzenesulfonylmethyl)-3-chloro-2-nitrobenzene
InChI:
InChI=1S/C13H10ClNO4S/c14-12-8-4-5-10(13(12)15(16)17)9-20(18,19)11-6-2-1-3-7-11/h1-8H,9H2
InChI Key:
TVXBXKYCFBTOOZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)cccc1CS(=O)(=O)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.002g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.736g/mol
Monoisotopic Mass:
311.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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