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Home > Nitro Compounds > 438529-21-6
438529-21-6 | N-(5-Nitro-pyridin-2-yl)-propionamide
CAS No: 438529-21-6 Catalog No: AG01FD95 MDL No:
Product Description
Catalog Number:
AG01FD95
Chemical Name:
N-(5-Nitro-pyridin-2-yl)-propionamide
CAS Number:
438529-21-6
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
IUPAC Name:
N-(5-nitropyridin-2-yl)propanamide
InChI:
InChI=1S/C8H9N3O3/c1-2-8(12)10-7-4-3-6(5-9-7)11(13)14/h3-5H,2H2,1H3,(H,9,10,12)
InChI Key:
CXFLZJRNXNZWES-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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