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2092453-17-1 | 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-2H-indazole-3-carbaldehyde
CAS No: 2092453-17-1 Catalog No: AG01BSN6 MDL No:MFCD30727302
Product Description
Catalog Number:
AG01BSN6
Chemical Name:
2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-2H-indazole-3-carbaldehyde
CAS Number:
2092453-17-1
Molecular Formula:
C10H11F3N2O
Molecular Weight:
232.2023
MDL Number:
MFCD30727302
IUPAC Name:
2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole-3-carbaldehyde
InChI:
InChI=1S/C10H11F3N2O/c11-10(12,13)6-15-9(5-16)7-3-1-2-4-8(7)14-15/h5H,1-4,6H2
InChI Key:
YWABKUAVZLODFX-UHFFFAOYSA-N
SMILES:
O=Cc1n(nc2c1CCCC2)CC(F)(F)F
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.206g/mol
Monoisotopic Mass:
232.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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