200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 2060047-75-6
2060047-75-6 | 2-(4-nitrophenyl)-4H,6H,7H,8H,9H-pyrimido[1,2-a]piperazin-4-one
CAS No: 2060047-75-6 Catalog No: AG01BYR4 MDL No:MFCD30487330
Product Description
Catalog Number:
AG01BYR4
Chemical Name:
2-(4-nitrophenyl)-4H,6H,7H,8H,9H-pyrimido[1,2-a]piperazin-4-one
CAS Number:
2060047-75-6
Molecular Formula:
C13H12N4O3
Molecular Weight:
272.2594
MDL Number:
MFCD30487330
IUPAC Name:
2-(4-nitrophenyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C13H12N4O3/c18-13-7-11(15-12-8-14-5-6-16(12)13)9-1-3-10(4-2-9)17(19)20/h1-4,7,14H,5-6,8H2
InChI Key:
SPFOOVWOWOLOMN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cc(=O)n2c(n1)CNCC2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.264g/mol
Monoisotopic Mass:
272.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.