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113504-86-2 | 1H-Imidazole, 5-(2,6-dimethylphenyl)-
CAS No: 113504-86-2 Catalog No: AG0008TR MDL No:
Product Description
Catalog Number:
AG0008TR
Chemical Name:
1H-Imidazole, 5-(2,6-dimethylphenyl)-
CAS Number:
113504-86-2
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
5-(2,6-dimethylphenyl)-1H-imidazole
InChI:
InChI=1S/C11H12N2/c1-8-4-3-5-9(2)11(8)10-6-12-7-13-10/h3-7H,1-2H3,(H,12,13)
InChI Key:
FXWZXBVLBMPYTC-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1c1cnc[nH]1)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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