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Home > Imidazoles > 81325-25-9
81325-25-9 | 1H-Imidazole, 1-(2,4,6-trimethylbenzoyl)-
CAS No: 81325-25-9 Catalog No: AG005LDX MDL No:
Product Description
Catalog Number:
AG005LDX
Chemical Name:
1H-Imidazole, 1-(2,4,6-trimethylbenzoyl)-
CAS Number:
81325-25-9
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
imidazol-1-yl-(2,4,6-trimethylphenyl)methanone
InChI:
InChI=1S/C13H14N2O/c1-9-6-10(2)12(11(3)7-9)13(16)15-5-4-14-8-15/h4-8H,1-3H3
InChI Key:
WVCUKHRGOMTDKS-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(=O)n1cncc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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