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Home > Nitro Compounds > 76128-00-2
76128-00-2 | 1,1'-Biphenyl, 4-[(4-methylphenyl)sulfonyl]-4'-nitro-
CAS No: 76128-00-2 Catalog No: AG0057V2 MDL No:
Product Description
Catalog Number:
AG0057V2
Chemical Name:
1,1'-Biphenyl, 4-[(4-methylphenyl)sulfonyl]-4'-nitro-
CAS Number:
76128-00-2
Molecular Formula:
C19H15NO4S
Molecular Weight:
353.3917
IUPAC Name:
1-methyl-4-[4-(4-nitrophenyl)phenyl]sulfonylbenzene
InChI:
InChI=1S/C19H15NO4S/c1-14-2-10-18(11-3-14)25(23,24)19-12-6-16(7-13-19)15-4-8-17(9-5-15)20(21)22/h2-13H,1H3
InChI Key:
QPYQFAWIPILFJB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.392g/mol
Monoisotopic Mass:
353.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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