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Home > Nitro Compounds > 140431-49-8
140431-49-8 | Benzoic acid, 4-[[4-(2-nitroethenyl)phenoxy]sulfonyl]-
CAS No: 140431-49-8 Catalog No: AG001CFM MDL No:
Product Description
Catalog Number:
AG001CFM
Chemical Name:
Benzoic acid, 4-[[4-(2-nitroethenyl)phenoxy]sulfonyl]-
CAS Number:
140431-49-8
Molecular Formula:
C15H11NO7S
Molecular Weight:
349.3153
IUPAC Name:
4-[4-(2-nitroethenyl)phenoxy]sulfonylbenzoic acid
InChI:
InChI=1S/C15H11NO7S/c17-15(18)12-3-7-14(8-4-12)24(21,22)23-13-5-1-11(2-6-13)9-10-16(19)20/h1-10H,(H,17,18)
InChI Key:
JJLJZGDGOYIKBT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.026g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.313g/mol
Monoisotopic Mass:
349.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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