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13097-01-3 | 1H-Indazole, 3-phenyl-
CAS No: 13097-01-3 Catalog No: AG000V7B MDL No:MFCD03233075
Product Description
Catalog Number:
AG000V7B
Chemical Name:
1H-Indazole, 3-phenyl-
CAS Number:
13097-01-3
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
MDL Number:
MFCD03233075
IUPAC Name:
3-phenyl-1H-indazole
InChI:
InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15)
InChI Key:
MXBKCOLSUUYOHT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1n[nH]c2c1cccc2
NSC Number:
174752
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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