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Home > Fluorides > 129247-52-5
129247-52-5 | 1H-Imidazole, 1-(1,1-dimethylethyl)-4-(1-methylethyl)-5-(trifluoromethyl)-
CAS No: 129247-52-5 Catalog No: AG000Z14 MDL No:
Product Description
Catalog Number:
AG000Z14
Chemical Name:
1H-Imidazole, 1-(1,1-dimethylethyl)-4-(1-methylethyl)-5-(trifluoromethyl)-
CAS Number:
129247-52-5
Molecular Formula:
C11H17F3N2
Molecular Weight:
234.2613
IUPAC Name:
1-tert-butyl-4-propan-2-yl-5-(trifluoromethyl)imidazole
InChI:
InChI=1S/C11H17F3N2/c1-7(2)8-9(11(12,13)14)16(6-15-8)10(3,4)5/h6-7H,1-5H3
InChI Key:
VRAPBBUWGNZEPM-UHFFFAOYSA-N
SMILES:
CC(c1ncn(c1C(F)(F)F)C(C)(C)C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.266g/mol
Monoisotopic Mass:
234.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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