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1017-27-2 | N-(2-Aminoethyl)-4-nitrobenzamide
CAS No: 1017-27-2 Catalog No: AG000599 MDL No:
Product Description
Catalog Number:
AG000599
Chemical Name:
N-(2-Aminoethyl)-4-nitrobenzamide
CAS Number:
1017-27-2
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
IUPAC Name:
N-(2-aminoethyl)-4-nitrobenzamide
InChI:
InChI=1S/C9H11N3O3/c10-5-6-11-9(13)7-1-3-8(4-2-7)12(14)15/h1-4H,5-6,10H2,(H,11,13)
InChI Key:
KWWPRACPGGPLMF-UHFFFAOYSA-N
SMILES:
NCCNC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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