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1227271-00-2 | 3H-Indazol-3-one, 5-chloro-7-fluoro-1,2-dihydro-
CAS No: 1227271-00-2 Catalog No: AG000J7N MDL No:
Product Description
Catalog Number:
AG000J7N
Chemical Name:
3H-Indazol-3-one, 5-chloro-7-fluoro-1,2-dihydro-
CAS Number:
1227271-00-2
Molecular Formula:
C7H4ClFN2O
Molecular Weight:
186.5709
IUPAC Name:
5-chloro-7-fluoro-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H4ClFN2O/c8-3-1-4-6(5(9)2-3)10-11-7(4)12/h1-2H,(H2,10,11,12)
InChI Key:
FBRJSKLHEWUNEX-UHFFFAOYSA-N
SMILES:
Clc1cc(F)c2c(c1)c(=O)[nH][nH]2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.57g/mol
Monoisotopic Mass:
186g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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