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113504-85-1 | 1H-Imidazole, 5-[(2,5-dimethylphenyl)methyl]-
CAS No: 113504-85-1 Catalog No: AG0008TS MDL No:
Product Description
Catalog Number:
AG0008TS
Chemical Name:
1H-Imidazole, 5-[(2,5-dimethylphenyl)methyl]-
CAS Number:
113504-85-1
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
5-[(2,5-dimethylphenyl)methyl]-1H-imidazole
InChI:
InChI=1S/C12H14N2/c1-9-3-4-10(2)11(5-9)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChI Key:
XXDJILPXHJZWJM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cc1cnc[nH]1)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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