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Home > Imidazoles > 88557-74-8
88557-74-8 | 1H-Imidazole, 1-(4-iodo-1,1-diphenyl-3-butynyl)-
CAS No: 88557-74-8 Catalog No: AG008BKN MDL No:
Product Description
Catalog Number:
AG008BKN
Chemical Name:
1H-Imidazole, 1-(4-iodo-1,1-diphenyl-3-butynyl)-
CAS Number:
88557-74-8
Molecular Formula:
C19H15IN2
Molecular Weight:
398.2403
IUPAC Name:
1-(4-iodo-1,1-diphenylbut-3-ynyl)imidazole
InChI:
InChI=1S/C19H15IN2/c20-13-7-12-19(22-15-14-21-16-22,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-16H,12H2
InChI Key:
YXMGTDUQPDMNIU-UHFFFAOYSA-N
SMILES:
IC#CCC(n1cncc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.247g/mol
Monoisotopic Mass:
398.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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