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Home > Nitro Compounds > 127876-57-7
127876-57-7 | Benzene, 1-(2-nitroethenyl)-2-(phenylthio)-
CAS No: 127876-57-7 Catalog No: AG000XHL MDL No:
Product Description
Catalog Number:
AG000XHL
Chemical Name:
Benzene, 1-(2-nitroethenyl)-2-(phenylthio)-
CAS Number:
127876-57-7
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
1-(2-nitroethenyl)-2-phenylsulfanylbenzene
InChI:
InChI=1S/C14H11NO2S/c16-15(17)11-10-12-6-4-5-9-14(12)18-13-7-2-1-3-8-13/h1-11H
InChI Key:
SXJIMCNPMBDKLZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1ccccc1Sc1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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