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Home > Imidazoles > 91874-85-0
91874-85-0 | (2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone
CAS No: 91874-85-0 Catalog No: AG006C0H MDL No:MFCD21332884
Product Description
Catalog Number:
AG006C0H
Chemical Name:
(2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone
CAS Number:
91874-85-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD21332884
IUPAC Name:
(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methanone
InChI:
InChI=1S/C12H12N2O/c1-8-4-3-5-10(9(8)2)12(15)11-6-13-7-14-11/h3-7H,1-2H3,(H,13,14)
InChI Key:
RXMJMOMMINVJMY-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C)C(=O)c1c[nH]cn1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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