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Home > Imidazoles > 1531671-31-4
1531671-31-4 | 1-(1-methyl-5-phenyl-1H-imidazol-2-yl)ethan-1-one
CAS No: 1531671-31-4 Catalog No: AG01C1MA MDL No:MFCD26679440
Product Description
Catalog Number:
AG01C1MA
Chemical Name:
1-(1-methyl-5-phenyl-1H-imidazol-2-yl)ethan-1-one
CAS Number:
1531671-31-4
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD26679440
IUPAC Name:
1-(1-methyl-5-phenylimidazol-2-yl)ethanone
InChI:
InChI=1S/C12H12N2O/c1-9(15)12-13-8-11(14(12)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
CPZRUVUCDAEGGV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncc(n1C)c1ccccc1
Properties
Complexity:
236
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:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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