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89303-56-0 | Benzene, 1-bromo-3-nitro-2-[(phenylsulfonyl)methyl]-
CAS No: 89303-56-0 Catalog No: AG0040GC MDL No:
Product Description
Catalog Number:
AG0040GC
Chemical Name:
Benzene, 1-bromo-3-nitro-2-[(phenylsulfonyl)methyl]-
CAS Number:
89303-56-0
Molecular Formula:
C13H10BrNO4S
Molecular Weight:
356.1918
IUPAC Name:
2-(benzenesulfonylmethyl)-1-bromo-3-nitrobenzene
InChI:
InChI=1S/C13H10BrNO4S/c14-12-7-4-8-13(15(16)17)11(12)9-20(18,19)10-5-2-1-3-6-10/h1-8H,9H2
InChI Key:
GPCRGHRIYZMGOL-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1CS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.951g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.19g/mol
Monoisotopic Mass:
354.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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