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88557-61-3 | 1H-Imidazole, 1-[1-(2-chlorophenyl)-1-phenyl-3-butynyl]-
CAS No: 88557-61-3 Catalog No: AG004E3G MDL No:
Product Description
Catalog Number:
AG004E3G
Chemical Name:
1H-Imidazole, 1-[1-(2-chlorophenyl)-1-phenyl-3-butynyl]-
CAS Number:
88557-61-3
Molecular Formula:
C19H15ClN2
Molecular Weight:
306.7888
IUPAC Name:
1-[1-(2-chlorophenyl)-1-phenylbut-3-ynyl]imidazole
InChI:
InChI=1S/C19H15ClN2/c1-2-12-19(22-14-13-21-15-22,16-8-4-3-5-9-16)17-10-6-7-11-18(17)20/h1,3-11,13-15H,12H2
InChI Key:
FXRRCYZLFHOSGB-UHFFFAOYSA-N
SMILES:
C#CCC(c1ccccc1Cl)(n1cncc1)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.092g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.793g/mol
Monoisotopic Mass:
306.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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