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Home > Imidazoles > 405213-06-1
405213-06-1 | 3-(1H-imidazol-1-yl)-1-(4-methylphenyl)propan-1-one
CAS No: 405213-06-1 Catalog No: AG01A6SJ MDL No:MFCD25970419
Product Description
Catalog Number:
AG01A6SJ
Chemical Name:
3-(1H-imidazol-1-yl)-1-(4-methylphenyl)propan-1-one
CAS Number:
405213-06-1
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD25970419
IUPAC Name:
3-imidazol-1-yl-1-(4-methylphenyl)propan-1-one
InChI:
InChI=1S/C13H14N2O/c1-11-2-4-12(5-3-11)13(16)6-8-15-9-7-14-10-15/h2-5,7,9-10H,6,8H2,1H3
InChI Key:
QNKCDQIFYWNORX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)CCn1cncc1
Properties
Complexity:
234
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:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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