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52837-55-5 | 4,5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE, 99
CAS No: 52837-55-5 Catalog No: AG00DU7K MDL No:
Product Description
Catalog Number:
AG00DU7K
Chemical Name:
4,5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE, 99
CAS Number:
52837-55-5
IUPAC Name:
3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indazole
InChI:
InChI=1S/C16H13N3/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12/h1-4,7-10H,5-6H2,(H,18,19)
InChI Key:
NNOXRNQSZZKVKE-UHFFFAOYSA-N
EC Number:
258-215-2
NSC Number:
247998
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.301g/mol
Monoisotopic Mass:
247.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate. | Acta crystallographica. Section E, Structure reports online 20120801 |
| 3-(4-Pyrid-yl)-4,5-dihydro-1H-benzo[g]indazole. | Acta crystallographica. Section E, Structure reports online 20081201 |
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