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Home > Nitro Compounds > 67745-30-6
67745-30-6 | Benzene, 4-nitro-1,2-bis(phenylthio)-
CAS No: 67745-30-6 Catalog No: AG005Q9N MDL No:
Product Description
Catalog Number:
AG005Q9N
Chemical Name:
Benzene, 4-nitro-1,2-bis(phenylthio)-
CAS Number:
67745-30-6
Molecular Formula:
C18H13NO2S2
Molecular Weight:
339.4313
IUPAC Name:
4-nitro-1,2-bis(phenylsulfanyl)benzene
InChI:
InChI=1S/C18H13NO2S2/c20-19(21)14-11-12-17(22-15-7-3-1-4-8-15)18(13-14)23-16-9-5-2-6-10-16/h1-13H
InChI Key:
HMIRXVTUAISHEU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.427g/mol
Monoisotopic Mass:
339.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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