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116146-18-0 | 1H-Imidazole, 5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-
CAS No: 116146-18-0 Catalog No: AG000BRX MDL No:
Product Description
Catalog Number:
AG000BRX
Chemical Name:
1H-Imidazole, 5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-
CAS Number:
116146-18-0
Molecular Formula:
C14H17ClN2
Molecular Weight:
248.7512
IUPAC Name:
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)imidazole
InChI:
InChI=1S/C14H17ClN2/c1-14(2,3)9-17-10-16-8-13(17)11-5-4-6-12(15)7-11/h4-8,10H,9H2,1-3H3
InChI Key:
AVHBXBZOIZPXIN-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1cncn1CC(C)(C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.754g/mol
Monoisotopic Mass:
248.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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