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Home > Nitro Compounds > 442652-86-0
442652-86-0 | 3-Methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CAS No: 442652-86-0 Catalog No: AG01FMRW MDL No:MFCD05718524
Product Description
Catalog Number:
AG01FMRW
Chemical Name:
3-Methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CAS Number:
442652-86-0
Molecular Formula:
C13H12N4O3
Molecular Weight:
272.2594
MDL Number:
MFCD05718524
IUPAC Name:
3-methyl-4-(2-nitrophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C13H12N4O3/c1-7-12-9(6-11(18)14-13(12)16-15-7)8-4-2-3-5-10(8)17(19)20/h2-5,9H,6H2,1H3,(H2,14,15,16,18)
InChI Key:
OQYKJEXEPYXKDA-UHFFFAOYSA-N
SMILES:
O=C1CC(c2c(N1)[nH]nc2C)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
411
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.264g/mol
Monoisotopic Mass:
272.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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