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Home > Nitro Compounds > 89333-02-8
89333-02-8 | Oxirane, 2-[(4-methylphenyl)sulfonyl]-3-(3-nitrophenyl)-
CAS No: 89333-02-8 Catalog No: AG003ZF4 MDL No:
Product Description
Catalog Number:
AG003ZF4
Chemical Name:
Oxirane, 2-[(4-methylphenyl)sulfonyl]-3-(3-nitrophenyl)-
CAS Number:
89333-02-8
Molecular Formula:
C15H13NO5S
Molecular Weight:
319.3324
IUPAC Name:
2-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)oxirane
InChI:
InChI=1S/C15H13NO5S/c1-10-5-7-13(8-6-10)22(19,20)15-14(21-15)11-3-2-4-12(9-11)16(17)18/h2-9,14-15H,1H3
InChI Key:
GXOCPBYWVQUZCF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)C1OC1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.331g/mol
Monoisotopic Mass:
319.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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