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Home > Nitro Compounds > 2060008-99-1
2060008-99-1 | 7-methyl-2-(3-nitrophenyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 2060008-99-1 Catalog No: AG01BYS7 MDL No:MFCD30487368
Product Description
Catalog Number:
AG01BYS7
Chemical Name:
7-methyl-2-(3-nitrophenyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
2060008-99-1
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
MDL Number:
MFCD30487368
IUPAC Name:
7-methyl-2-(3-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C15H15N3O3/c1-10-5-6-14-16-13(8-15(19)17(14)9-10)11-3-2-4-12(7-11)18(20)21/h2-4,7-8,10H,5-6,9H2,1H3
InChI Key:
DDXGWAAKBSOOHM-UHFFFAOYSA-N
SMILES:
CC1CCc2n(C1)c(=O)cc(n2)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.303g/mol
Monoisotopic Mass:
285.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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