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Home > Imidazoles > 223762-69-4
223762-69-4 | 1-(3,5-DIMETHYLPHENYL)-1H-IMIDAZOLE
CAS No: 223762-69-4 Catalog No: AG006Y61 MDL No:
Product Description
Catalog Number:
AG006Y61
Chemical Name:
1-(3,5-DIMETHYLPHENYL)-1H-IMIDAZOLE
CAS Number:
223762-69-4
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
1-(3,5-dimethylphenyl)imidazole
InChI:
InChI=1S/C11H12N2/c1-9-5-10(2)7-11(6-9)13-4-3-12-8-13/h3-8H,1-2H3
InChI Key:
QXXCCCYBDBBJGO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)n1cncc1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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