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Home > Nitro Compounds > 2060059-17-6
2060059-17-6 | 2-(4-nitrophenyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 2060059-17-6 Catalog No: AG01BYRG MDL No:MFCD30487342
Product Description
Catalog Number:
AG01BYRG
Chemical Name:
2-(4-nitrophenyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
2060059-17-6
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
MDL Number:
MFCD30487342
IUPAC Name:
2-(4-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C14H13N3O3/c18-14-9-12(15-13-3-1-2-8-16(13)14)10-4-6-11(7-5-10)17(19)20/h4-7,9H,1-3,8H2
InChI Key:
UYYKTEMGVQESPU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cc(=O)n2c(n1)CCCC2
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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