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1156499-18-1 | 1H-Imidazole, 5-methyl-2-(3,3,3-trifluoropropyl)-
CAS No: 1156499-18-1 Catalog No: AG000GO5 MDL No:
Product Description
Catalog Number:
AG000GO5
Chemical Name:
1H-Imidazole, 5-methyl-2-(3,3,3-trifluoropropyl)-
CAS Number:
1156499-18-1
Molecular Formula:
C7H9F3N2
Molecular Weight:
178.1550
IUPAC Name:
5-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazole
InChI:
InChI=1S/C7H9F3N2/c1-5-4-11-6(12-5)2-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChI Key:
IHUYFTNKOHDODG-UHFFFAOYSA-N
SMILES:
FC(CCc1ncc([nH]1)C)(F)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.158g/mol
Monoisotopic Mass:
178.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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