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70759-03-4 | 1H-Imidazole, 1-[(3,4-dimethylphenyl)methyl]-
CAS No: 70759-03-4 Catalog No: AG005G6D MDL No:
Product Description
Catalog Number:
AG005G6D
Chemical Name:
1H-Imidazole, 1-[(3,4-dimethylphenyl)methyl]-
CAS Number:
70759-03-4
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
1-[(3,4-dimethylphenyl)methyl]imidazole
InChI:
InChI=1S/C12H14N2/c1-10-3-4-12(7-11(10)2)8-14-6-5-13-9-14/h3-7,9H,8H2,1-2H3
InChI Key:
ZQIMOEUCLLSGCB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)Cn1cncc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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