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14823-31-5 | 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-
CAS No: 14823-31-5 Catalog No: AG001FJY MDL No:MFCD00520864
Product Description
Catalog Number:
AG001FJY
Chemical Name:
4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-
CAS Number:
14823-31-5
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD00520864
IUPAC Name:
1-phenyl-6,7-dihydro-5H-indazol-4-one
InChI:
InChI=1S/C13H12N2O/c16-13-8-4-7-12-11(13)9-14-15(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChI Key:
PSXCLWPFIRHOJO-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cnn2c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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