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Home > Nitro Compounds > 2060035-10-9
2060035-10-9 | 7,7-dimethyl-2-(3-nitrophenyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS No: 2060035-10-9 Catalog No: AG01BYTN MDL No:MFCD30487426
Product Description
Catalog Number:
AG01BYTN
Chemical Name:
7,7-dimethyl-2-(3-nitrophenyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS Number:
2060035-10-9
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
MDL Number:
MFCD30487426
IUPAC Name:
7,7-dimethyl-2-(3-nitrophenyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C15H15N3O3/c1-15(2)8-13-16-12(7-14(19)17(13)9-15)10-4-3-5-11(6-10)18(20)21/h3-7H,8-9H2,1-2H3
InChI Key:
BCXZTKSUJPVXQT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cc(=O)n2c(n1)CC(C2)(C)C
Properties
Complexity:
545
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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