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Home > Nitro Compounds > 2060009-22-3
2060009-22-3 | 7-methyl-2-(4-nitrophenyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS No: 2060009-22-3 Catalog No: AG01BYT9 MDL No:MFCD30487412
Product Description
Catalog Number:
AG01BYT9
Chemical Name:
7-methyl-2-(4-nitrophenyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS Number:
2060009-22-3
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
MDL Number:
MFCD30487412
IUPAC Name:
7-methyl-2-(4-nitrophenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C14H13N3O3/c1-9-6-13-15-12(7-14(18)16(13)8-9)10-2-4-11(5-3-10)17(19)20/h2-5,7,9H,6,8H2,1H3
InChI Key:
FVKYDZHLYUDYJT-UHFFFAOYSA-N
SMILES:
CC1Cn2c(C1)nc(cc2=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
498
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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