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Home > Nitro Compounds > 130188-77-1
130188-77-1 | Ethanone, 1-(4-methylphenyl)-2-[(4-nitrophenyl)sulfonyl]-
CAS No: 130188-77-1 Catalog No: AG000U41 MDL No:
Product Description
Catalog Number:
AG000U41
Chemical Name:
Ethanone, 1-(4-methylphenyl)-2-[(4-nitrophenyl)sulfonyl]-
CAS Number:
130188-77-1
Molecular Formula:
C15H13NO5S
Molecular Weight:
319.3324
IUPAC Name:
1-(4-methylphenyl)-2-(4-nitrophenyl)sulfonylethanone
InChI:
InChI=1S/C15H13NO5S/c1-11-2-4-12(5-3-11)15(17)10-22(20,21)14-8-6-13(7-9-14)16(18)19/h2-9H,10H2,1H3
InChI Key:
LKSDYWRNHQYOTB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)CS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
503
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:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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