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Home > Nitro Compounds > 89333-00-6
89333-00-6 | Oxirane, 2-(3-nitrophenyl)-3-(phenylsulfonyl)-
CAS No: 89333-00-6 Catalog No: AG003YE7 MDL No:
Product Description
Catalog Number:
AG003YE7
Chemical Name:
Oxirane, 2-(3-nitrophenyl)-3-(phenylsulfonyl)-
CAS Number:
89333-00-6
Molecular Formula:
C14H11NO5S
Molecular Weight:
305.3058
IUPAC Name:
2-(benzenesulfonyl)-3-(3-nitrophenyl)oxirane
InChI:
InChI=1S/C14H11NO5S/c16-15(17)11-6-4-5-10(9-11)13-14(20-13)21(18,19)12-7-2-1-3-8-12/h1-9,13-14H
InChI Key:
PKYUPUAAYAQCCS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1OC1S(=O)(=O)c1ccccc1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.304g/mol
Monoisotopic Mass:
305.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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