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Home > Nitro Compounds > 2060020-00-8
2060020-00-8 | 6-methyl-2-(3-nitrophenyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS No: 2060020-00-8 Catalog No: AG01BYU0 MDL No:MFCD30487439
Product Description
Catalog Number:
AG01BYU0
Chemical Name:
6-methyl-2-(3-nitrophenyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS Number:
2060020-00-8
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
MDL Number:
MFCD30487439
IUPAC Name:
6-methyl-2-(3-nitrophenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C14H13N3O3/c1-9-5-6-13-15-12(8-14(18)16(9)13)10-3-2-4-11(7-10)17(19)20/h2-4,7-9H,5-6H2,1H3
InChI Key:
NTTMDMHODAWSHG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cc(=O)n2c(n1)CCC2C
Properties
Complexity:
506
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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