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Home > Nitro Compounds > 79371-42-9
79371-42-9 | Acetamide,N-(3-nitro-4-pyridinyl)-
CAS No: 79371-42-9 Catalog No: AG00521G MDL No:
Product Description
Catalog Number:
AG00521G
Chemical Name:
Acetamide,N-(3-nitro-4-pyridinyl)-
CAS Number:
79371-42-9
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
IUPAC Name:
N-(3-nitropyridin-4-yl)acetamide
InChI:
InChI=1S/C7H7N3O3/c1-5(11)9-6-2-3-8-4-7(6)10(12)13/h2-4H,1H3,(H,8,9,11)
InChI Key:
YXAMTQAVAJACLQ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccncc1[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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