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848142-62-1 | 2H-Indazol-5-ol, 3-chloro-2-(4-hydroxyphenyl)-
CAS No: 848142-62-1 Catalog No: AG004QX8 MDL No:
Product Description
Catalog Number:
AG004QX8
Chemical Name:
2H-Indazol-5-ol, 3-chloro-2-(4-hydroxyphenyl)-
CAS Number:
848142-62-1
Molecular Formula:
C13H9ClN2O2
Molecular Weight:
260.6758
IUPAC Name:
3-chloro-2-(4-hydroxyphenyl)indazol-5-ol
InChI:
InChI=1S/C13H9ClN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H
InChI Key:
ZNHQDSBJVFFIAK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1nc2c(c1Cl)cc(cc2)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.677g/mol
Monoisotopic Mass:
260.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Indazole estrogens: highly selective ligands for the estrogen receptor beta. | Journal of medicinal chemistry 20050224 |
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