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Home > Fluorides > 1314657-40-3
1314657-40-3 | 1H-Imidazole, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-2,2-difluoro-2,3-dihydro-
CAS No: 1314657-40-3 Catalog No: AG000W8C MDL No:
Product Description
Catalog Number:
AG000W8C
Chemical Name:
1H-Imidazole, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-2,2-difluoro-2,3-dihydro-
CAS Number:
1314657-40-3
Molecular Formula:
C27H36F2N2
Molecular Weight:
426.5849
IUPAC Name:
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazole
InChI:
InChI=1S/C27H36F2N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)30-15-16-31(27(30,28)29)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3
InChI Key:
FQXXWTOSPDVNSG-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1N1C=CN(C1(F)F)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.285g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.596g/mol
Monoisotopic Mass:
426.285g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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