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497855-74-0 | 1-(2,2,2-trifluoroethyl)-1H-imidazole-2-carbaldehyde
CAS No: 497855-74-0 Catalog No: AG01AA5J MDL No:MFCD09908506
Product Description
Catalog Number:
AG01AA5J
Chemical Name:
1-(2,2,2-trifluoroethyl)-1H-imidazole-2-carbaldehyde
CAS Number:
497855-74-0
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD09908506
IUPAC Name:
1-(2,2,2-trifluoroethyl)imidazole-2-carbaldehyde
InChI:
InChI=1S/C6H5F3N2O/c7-6(8,9)4-11-2-1-10-5(11)3-12/h1-3H,4H2
InChI Key:
HDUFCQPRNLFRPA-UHFFFAOYSA-N
SMILES:
O=Cc1nccn1CC(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.114g/mol
Monoisotopic Mass:
178.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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