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Home > Nitro Compounds > 370588-25-3
370588-25-3 | 3,7,7-trimethyl-4-(4-nitrophenyl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS No: 370588-25-3 Catalog No: AG00ITQ4 MDL No:MFCD03787095
Product Description
Catalog Number:
AG00ITQ4
Chemical Name:
3,7,7-trimethyl-4-(4-nitrophenyl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
370588-25-3
Molecular Formula:
C19H20N4O3
Molecular Weight:
352.3871
MDL Number:
MFCD03787095
IUPAC Name:
3,7,7-trimethyl-4-(4-nitrophenyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C19H20N4O3/c1-10-15-16(11-4-6-12(7-5-11)23(25)26)17-13(20-18(15)22-21-10)8-19(2,3)9-14(17)24/h4-7,16H,8-9H2,1-3H3,(H2,20,21,22)
InChI Key:
YHJPUFVICIRSNV-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)[N+](=O)[O-])c1c(N2)n[nH]c1C
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.154g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.394g/mol
Monoisotopic Mass:
352.154g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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