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88630-22-2 | 1H-Imidazole, 1-[[2-(4-chlorophenyl)-3-(4-fluorophenyl)oxiranyl]methyl]-
CAS No: 88630-22-2 Catalog No: AG0049V5 MDL No:
Product Description
Catalog Number:
AG0049V5
Chemical Name:
1H-Imidazole, 1-[[2-(4-chlorophenyl)-3-(4-fluorophenyl)oxiranyl]methyl]-
CAS Number:
88630-22-2
Molecular Formula:
C18H14ClFN2O
Molecular Weight:
328.7680
IUPAC Name:
1-[[2-(4-chlorophenyl)-3-(4-fluorophenyl)oxiran-2-yl]methyl]imidazole
InChI:
InChI=1S/C18H14ClFN2O/c19-15-5-3-14(4-6-15)18(11-22-10-9-21-12-22)17(23-18)13-1-7-16(20)8-2-13/h1-10,12,17H,11H2
InChI Key:
DSWIKXUZGSOSPD-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1OC1(Cn1ccnc1)c1ccc(cc1)Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.771g/mol
Monoisotopic Mass:
328.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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