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1000341-65-0 | 3H-Indazol-3-one, 7-amino-4-fluoro-1,2-dihydro-
CAS No: 1000341-65-0 Catalog No: AG0000HD MDL No:
Product Description
Catalog Number:
AG0000HD
Chemical Name:
3H-Indazol-3-one, 7-amino-4-fluoro-1,2-dihydro-
CAS Number:
1000341-65-0
Molecular Formula:
C7H6FN3O
Molecular Weight:
167.1404
IUPAC Name:
7-amino-4-fluoro-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H6FN3O/c8-3-1-2-4(9)6-5(3)7(12)11-10-6/h1-2H,9H2,(H2,10,11,12)
InChI Key:
AIBMAXWDVAMDAE-UHFFFAOYSA-N
SMILES:
Fc1ccc(c2c1c(=O)[nH][nH]2)N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.143g/mol
Monoisotopic Mass:
167.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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