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Home > Nitro Compounds > 89303-40-2
89303-40-2 | 1,3-Dioxolane, 2-[5-nitro-2-[(phenylsulfonyl)methyl]phenyl]-
CAS No: 89303-40-2 Catalog No: AG0040CB MDL No:
Product Description
Catalog Number:
AG0040CB
Chemical Name:
1,3-Dioxolane, 2-[5-nitro-2-[(phenylsulfonyl)methyl]phenyl]-
CAS Number:
89303-40-2
Molecular Formula:
C16H15NO6S
Molecular Weight:
349.3584
IUPAC Name:
2-[2-(benzenesulfonylmethyl)-5-nitrophenyl]-1,3-dioxolane
InChI:
InChI=1S/C16H15NO6S/c18-17(19)13-7-6-12(15(10-13)16-22-8-9-23-16)11-24(20,21)14-4-2-1-3-5-14/h1-7,10,16H,8-9,11H2
InChI Key:
LXFWRZZEYKVCIX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C1OCCO1)CS(=O)(=O)c1ccccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.357g/mol
Monoisotopic Mass:
349.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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