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102791-46-8 | 2(1H)-Quinolinone, 6-(1H-pyrazol-1-yl)-
CAS No: 102791-46-8 Catalog No: AG007YJ6 MDL No:
Product Description
Catalog Number:
AG007YJ6
Chemical Name:
2(1H)-Quinolinone, 6-(1H-pyrazol-1-yl)-
CAS Number:
102791-46-8
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
IUPAC Name:
6-pyrazol-1-yl-1H-quinolin-2-one
InChI:
InChI=1S/C12H9N3O/c16-12-5-2-9-8-10(3-4-11(9)14-12)15-7-1-6-13-15/h1-8H,(H,14,16)
InChI Key:
HFGKTRGWPPAWOL-UHFFFAOYSA-N
SMILES:
O=c1ccc2c([nH]1)ccc(c2)n1cccn1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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