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Home > Imidazoles > 214701-37-8
214701-37-8 | 1-[4-(1-methyl-1H-imidazol-2-yl)phenyl]ethan-1-one
CAS No: 214701-37-8 Catalog No: AG01CA07 MDL No:MFCD19621682
Product Description
Catalog Number:
AG01CA07
Chemical Name:
1-[4-(1-methyl-1H-imidazol-2-yl)phenyl]ethan-1-one
CAS Number:
214701-37-8
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD19621682
IUPAC Name:
1-[4-(1-methylimidazol-2-yl)phenyl]ethanone
InChI:
InChI=1S/C12H12N2O/c1-9(15)10-3-5-11(6-4-10)12-13-7-8-14(12)2/h3-8H,1-2H3
InChI Key:
PPCHYTVEYVSXSE-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1nccn1C
Properties
Complexity:
234
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:
1.4
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