Home Other Building Blocks 1-{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}ethan-1-one

1-{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}ethan-1-one

CAS No.:
1094382-05-4
Catalog Number:
AG019V67
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
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Product Description
Catalog Number:
AG019V67
Chemical Name:
1-{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}ethan-1-one
CAS Number:
1094382-05-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD11182282
IUPAC Name:
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanone
InChI:
InChI=1S/C13H14N2O2/c1-10(16)11-3-5-12(6-4-11)17-9-13-14-7-8-15(13)2/h3-8H,9H2,1-2H3
InChI Key:
WHBBMCFOFMDJBZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)OCc1nccn1C
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties