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Home > Nitro Compounds > 830320-64-4
830320-64-4 | 1H-Indazole, 6-nitro-1-phenyl-4-[(phenylmethyl)thio]-
CAS No: 830320-64-4 Catalog No: AG004YBG MDL No:
Product Description
Catalog Number:
AG004YBG
Chemical Name:
1H-Indazole, 6-nitro-1-phenyl-4-[(phenylmethyl)thio]-
CAS Number:
830320-64-4
Molecular Formula:
C20H15N3O2S
Molecular Weight:
361.4170
IUPAC Name:
4-benzylsulfanyl-6-nitro-1-phenylindazole
InChI:
InChI=1S/C20H15N3O2S/c24-23(25)17-11-19-18(13-21-22(19)16-9-5-2-6-10-16)20(12-17)26-14-15-7-3-1-4-8-15/h1-13H,14H2
InChI Key:
DPPPZWVZPXIRAI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(SCc2ccccc2)c2c(c1)n(nc2)c1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.088g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.419g/mol
Monoisotopic Mass:
361.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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