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Home > Nitro Compounds > 98119-89-2
98119-89-2 | Benzene, 2-nitro-1,3-bis(phenylthio)-
CAS No: 98119-89-2 Catalog No: AG00H5SL MDL No:
Product Description
Catalog Number:
AG00H5SL
Chemical Name:
Benzene, 2-nitro-1,3-bis(phenylthio)-
CAS Number:
98119-89-2
Molecular Formula:
C18H13NO2S2
Molecular Weight:
339.4313
IUPAC Name:
2-nitro-1,3-bis(phenylsulfanyl)benzene
InChI:
InChI=1S/C18H13NO2S2/c20-19(21)18-16(22-14-8-3-1-4-9-14)12-7-13-17(18)23-15-10-5-2-6-11-15/h1-13H
InChI Key:
GOMALWQZYLKPKP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cccc1Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
348
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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