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123402-80-2 | Benzamide, N-(7-aminoheptyl)-4-azido-2-nitro-
CAS No: 123402-80-2 Catalog No: AG000KJC MDL No:
Product Description
Catalog Number:
AG000KJC
Chemical Name:
Benzamide, N-(7-aminoheptyl)-4-azido-2-nitro-
CAS Number:
123402-80-2
Molecular Formula:
C14H20N6O3
Molecular Weight:
320.3470
IUPAC Name:
N-(7-aminoheptyl)-4-azido-2-nitrobenzamide
InChI:
InChI=1S/C14H20N6O3/c15-8-4-2-1-3-5-9-17-14(21)12-7-6-11(18-19-16)10-13(12)20(22)23/h6-7,10H,1-5,8-9,15H2,(H,17,21)
InChI Key:
IBDOWJPLTJYXMM-UHFFFAOYSA-N
SMILES:
NCCCCCCCNC(=O)c1ccc(cc1[N+](=O)[O-])N=[N+]=[N-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.16g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.353g/mol
Monoisotopic Mass:
320.16g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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