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139051-70-0 | Benzenamine, 4-(4-nitro-1,3-butadiyn-1-yl)-
CAS No: 139051-70-0 Catalog No: AG001A2S MDL No:
Product Description
Catalog Number:
AG001A2S
Chemical Name:
Benzenamine, 4-(4-nitro-1,3-butadiyn-1-yl)-
CAS Number:
139051-70-0
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
IUPAC Name:
4-(4-nitrobuta-1,3-diynyl)aniline
InChI:
InChI=1S/C10H6N2O2/c11-10-6-4-9(5-7-10)3-1-2-8-12(13)14/h4-7H,11H2
InChI Key:
OQYNXAUZJLCVHQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C#CC#C[N+](=O)[O-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.17g/mol
Monoisotopic Mass:
186.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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