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89372-26-9 | 1H-Imidazole, 1-[2-(2-chlorophenyl)-3-methoxy-2-methyl-1-oxopropyl]-
CAS No: 89372-26-9 Catalog No: AG003YVI MDL No:
Product Description
Catalog Number:
AG003YVI
Chemical Name:
1H-Imidazole, 1-[2-(2-chlorophenyl)-3-methoxy-2-methyl-1-oxopropyl]-
CAS Number:
89372-26-9
Molecular Formula:
C14H15ClN2O2
Molecular Weight:
278.7341
IUPAC Name:
2-(2-chlorophenyl)-1-imidazol-1-yl-3-methoxy-2-methylpropan-1-one
InChI:
InChI=1S/C14H15ClN2O2/c1-14(9-19-2,11-5-3-4-6-12(11)15)13(18)17-8-7-16-10-17/h3-8,10H,9H2,1-2H3
InChI Key:
JMFKSSBDXJSHLR-UHFFFAOYSA-N
SMILES:
COCC(c1ccccc1Cl)(C(=O)n1cncc1)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.736g/mol
Monoisotopic Mass:
278.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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