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160219-76-1 | 1,4-Benzenediamine, 2-nitro-N1-2-propen-1-yl-
CAS No: 160219-76-1 Catalog No: AG001RRR MDL No:
Product Description
Catalog Number:
AG001RRR
Chemical Name:
1,4-Benzenediamine, 2-nitro-N1-2-propen-1-yl-
CAS Number:
160219-76-1
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
IUPAC Name:
2-nitro-1-N-prop-2-enylbenzene-1,4-diamine
InChI:
InChI=1S/C9H11N3O2/c1-2-5-11-8-4-3-7(10)6-9(8)12(13)14/h2-4,6,11H,1,5,10H2
InChI Key:
CXRMOOSWBWJUCI-UHFFFAOYSA-N
SMILES:
C=CCNc1ccc(cc1[N+](=O)[O-])N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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