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116495-22-8 | 1,2-Ethanediamine, N1-(3-methoxy-4-nitrophenyl)-
CAS No: 116495-22-8 Catalog No: AG000CMK MDL No:
Product Description
Catalog Number:
AG000CMK
Chemical Name:
1,2-Ethanediamine, N1-(3-methoxy-4-nitrophenyl)-
CAS Number:
116495-22-8
Molecular Formula:
C9H13N3O3
Molecular Weight:
211.2178
IUPAC Name:
N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
InChI:
InChI=1S/C9H13N3O3/c1-15-9-6-7(11-5-4-10)2-3-8(9)12(13)14/h2-3,6,11H,4-5,10H2,1H3
InChI Key:
QNPRMXVAMNFDRN-UHFFFAOYSA-N
SMILES:
NCCNc1ccc(c(c1)OC)[N+](=O)[O-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.221g/mol
Monoisotopic Mass:
211.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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