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944896-15-5 |
CAS No: 944896-15-5 Catalog No: AG01FMPZ MDL No:
Product Description
Catalog Number:
AG01FMPZ
CAS Number:
944896-15-5
IUPAC Name:
3-(trifluoromethyl)-1,4,5,7-tetrahydroindazol-6-one
InChI:
InChI=1S/C8H7F3N2O/c9-8(10,11)7-5-2-1-4(14)3-6(5)12-13-7/h1-3H2,(H,12,13)
InChI Key:
QCESNNSBACZNLW-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.152g/mol
Monoisotopic Mass:
204.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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