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Home > Fluorides > 680610-84-8
680610-84-8 | 1,3-Benzenediol, 4-[1-(2,5-difluorophenyl)-6-hydroxy-1H-indazol-3-yl]-
CAS No: 680610-84-8 Catalog No: AG006G8Z MDL No:
Product Description
Catalog Number:
AG006G8Z
Chemical Name:
1,3-Benzenediol, 4-[1-(2,5-difluorophenyl)-6-hydroxy-1H-indazol-3-yl]-
CAS Number:
680610-84-8
Molecular Formula:
C19H12F2N2O3
Molecular Weight:
354.3070
IUPAC Name:
4-[1-(2,5-difluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
InChI:
InChI=1S/C19H12F2N2O3/c20-10-1-6-15(21)17(7-10)23-16-8-11(24)2-4-13(16)19(22-23)14-5-3-12(25)9-18(14)26/h1-9,24-26H
InChI Key:
IRDQVQSLLZJRMS-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)c1nn(c2c1ccc(c2)O)c1cc(F)ccc1F
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.082g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.313g/mol
Monoisotopic Mass:
354.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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