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Home > Nitro Compounds > 2060034-94-6
2060034-94-6 | 2-(4-nitrophenyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS No: 2060034-94-6 Catalog No: AG01BYSW MDL No:MFCD30487400
Product Description
Catalog Number:
AG01BYSW
Chemical Name:
2-(4-nitrophenyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS Number:
2060034-94-6
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD30487400
IUPAC Name:
2-(4-nitrophenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C13H11N3O3/c17-13-8-11(14-12-2-1-7-15(12)13)9-3-5-10(6-4-9)16(18)19/h3-6,8H,1-2,7H2
InChI Key:
ANIRNEYLYQHAFT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cc(=O)n2c(n1)CCC2
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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