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Home > Nitro Compounds > 190019-63-7
190019-63-7 | Diazene, 1-(4-methylphenyl)-2-[(4-nitro-2-thienyl)methyl]-
CAS No: 190019-63-7 Catalog No: AG002E93 MDL No:
Product Description
Catalog Number:
AG002E93
Chemical Name:
Diazene, 1-(4-methylphenyl)-2-[(4-nitro-2-thienyl)methyl]-
CAS Number:
190019-63-7
Molecular Formula:
C12H11N3O2S
Molecular Weight:
261.2996
IUPAC Name:
(4-methylphenyl)-[(4-nitrothiophen-2-yl)methyl]diazene
InChI:
InChI=1S/C12H11N3O2S/c1-9-2-4-10(5-3-9)14-13-7-12-6-11(8-18-12)15(16)17/h2-6,8H,7H2,1H3
InChI Key:
NUDNEKBYFYQYIM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N=NCc1scc(c1)[N+](=O)[O-]
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.299g/mol
Monoisotopic Mass:
261.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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