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1015846-12-4,MFCD09055195
Catalog No.:AA0004T5
1015846-12-4 | Ethanone, 1-[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]-
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1g
95%
in stock  
$52.00
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5g
95%
in stock  
$148.00
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Technical Information
Catalog Number:
AA0004T5
Chemical Name:
Ethanone, 1-[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]-
CAS Number:
1015846-12-4
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09055195
IUPAC Name:
1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethanone
InChI:
InChI=1S/C12H12N2O2/c1-9(15)10-7-13-14(8-10)11-5-3-4-6-12(11)16-2/h3-8H,1-2H3
InChI Key:
DWNLGWZAVQITML-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1ncc(c1)C(=O)C
Properties
Computed Properties
 
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
1015846-12-4 
1-[1-(2-METHOXYPHENYL)-1H-PYRAZOL-4-YL]ETHANONE 
ZX-CM002080 
MFCD09055195 
ZINC19087995 
AKOS022184534 
MCULE-5568993722 
AJ-70880 
Y-5032 
4002424-25G 
4002424-50G 
1-[1-(2-Methoxyphenyl)-1H-pyrazol-4-yl]ethanone, AldrichCPR 
1-[1-(2-Methoxyphenyl)-1H-pyrazol-4-yl]ethan-1-one 
1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethanone 
ethanone, 1-[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]- 
1-(1-(2-Methoxyphenyl)-1H-pyrazol-4-yl)ethanone 
SCHEMBL17324613 
CTK3J9965 
DTXSID50650791 
ALBB-028435 
ZX-AN052669 
Literature
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