Home Other Building Blocks 1015846-11-3
1015846-11-3,MFCD09055194
Catalog No.:AA0004T6
1015846-11-3 | 1-[1-(3-Methoxyphenyl)-1h-pyrazol-4-yl]ethanone
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$74.00   $52.00
- +
5g
95%
in stock  
$212.00   $148.00
- +
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Technical Information
Catalog Number:
AA0004T6
Chemical Name:
1-[1-(3-Methoxyphenyl)-1h-pyrazol-4-yl]ethanone
CAS Number:
1015846-11-3
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09055194
IUPAC Name:
1-[1-(3-methoxyphenyl)pyrazol-4-yl]ethanone
InChI:
InChI=1S/C12H12N2O2/c1-9(15)10-7-13-14(8-10)11-4-3-5-12(6-11)16-2/h3-8H,1-2H3
InChI Key:
ZEVZEQYTJIGCNE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1ncc(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
 
1015846-11-3 
1-[1-(3-METHOXYPHENYL)-1H-PYRAZOL-4-YL]ETHANONE 
MCULE-3876333527 
AJ-70879 
Y-5031 
1-[1-(3-Methoxyphenyl)-1H-pyrazol-4-yl]ethan-1-one 
4002422-25G 
Ethanone, 1-[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]- 
1-[1-(3-Methoxyphenyl)-1H-pyrazol-4-yl]ethanone, AldrichCPR 
1-(1-(3-Methoxyphenyl)-1H-pyrazol-4-yl)ethanone 
SCHEMBL17324763 
CTK3J9964 
DTXSID90650790 
ZX-CM002078 
MFCD09055194 
ZINC19087983 
AKOS022184531 
Literature
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