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138451-23-7 | Acetamide, N-(6-nitro-8-quinolinyl)-
CAS No: 138451-23-7 Catalog No: AG00196M MDL No:
Product Description
Catalog Number:
AG00196M
Chemical Name:
Acetamide, N-(6-nitro-8-quinolinyl)-
CAS Number:
138451-23-7
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
N-(6-nitroquinolin-8-yl)acetamide
InChI:
InChI=1S/C11H9N3O3/c1-7(15)13-10-6-9(14(16)17)5-8-3-2-4-12-11(8)10/h2-6H,1H3,(H,13,15)
InChI Key:
QIYUWKCPSMMRJM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(cc2c1nccc2)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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