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1000343-93-0

1000343-93-0 | 3H-Indazol-3-one, 6,7-difluoro-1,2-dihydro-

CAS No: 1000343-93-0 Catalog No: AG0000M4 MDL No:

Product Description

Catalog Number:
AG0000M4
Chemical Name:
3H-Indazol-3-one, 6,7-difluoro-1,2-dihydro-
CAS Number:
1000343-93-0
Molecular Formula:
C7H4F2N2O
Molecular Weight:
170.1163
IUPAC Name:
6,7-difluoro-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H4F2N2O/c8-4-2-1-3-6(5(4)9)10-11-7(3)12/h1-2H,(H2,10,11,12)
InChI Key:
KNDFQLVRSCUYRF-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1F)[nH][nH]c2=O

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.119g/mol
Monoisotopic Mass:
170.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Literature

Title Journal
Synthesis and biological evaluation of indazole derivatives. European journal of medicinal chemistry 20110401

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