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102808-02-6 | 4-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-2-CARBALDEHYDE
CAS No: 102808-02-6 Catalog No: AG009SA0 MDL No:MFCD10696737
Product Description
Catalog Number:
AG009SA0
Chemical Name:
4-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-2-CARBALDEHYDE
CAS Number:
102808-02-6
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD10696737
IUPAC Name:
5-(trifluoromethyl)-1H-imidazole-2-carbaldehyde
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-9-4(2-11)10-3/h1-2H,(H,9,10)
InChI Key:
FYKPCRCNMFOTHP-UHFFFAOYSA-N
SMILES:
O=Cc1ncc([nH]1)C(F)(F)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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