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Home > Aldehydes > 885271-90-9
885271-90-9 | 6-(Trifluoromethyl)-1H-indazole-3-carbaldehyde
CAS No: 885271-90-9 Catalog No: AG0046XT MDL No:MFCD06739121
Product Description
Catalog Number:
AG0046XT
Chemical Name:
6-(Trifluoromethyl)-1H-indazole-3-carbaldehyde
CAS Number:
885271-90-9
Molecular Formula:
C9H5F3N2O
Molecular Weight:
214.1440
MDL Number:
MFCD06739121
IUPAC Name:
6-(trifluoromethyl)-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-14-8(6)4-15/h1-4H,(H,13,14)
InChI Key:
KWWVGVOHIZTSLE-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1ccc(c2)C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.147g/mol
Monoisotopic Mass:
214.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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