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89303-49-1 | Benzene, 4-iodo-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS No: 89303-49-1 Catalog No: AG008740 MDL No:
Product Description
Catalog Number:
AG008740
Chemical Name:
Benzene, 4-iodo-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS Number:
89303-49-1
Molecular Formula:
C13H10INO4S
Molecular Weight:
403.1923
IUPAC Name:
1-(benzenesulfonylmethyl)-4-iodo-2-nitrobenzene
InChI:
InChI=1S/C13H10INO4S/c14-11-7-6-10(13(8-11)15(16)17)9-20(18,19)12-4-2-1-3-5-12/h1-8H,9H2
InChI Key:
UFBUADJEEUHSQC-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)[N+](=O)[O-])CS(=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:
402.938g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.19g/mol
Monoisotopic Mass:
402.938g/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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