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1016-41-7,MFCD00455777
Catalog No.:AA0004VF
1016-41-7 | 5-Ethoxy-3-methyl-1-phenylpyrazole
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Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$556.00   $389.00
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5g
98%
in stock  
$1,905.00   $1,334.00
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Technical Information
Catalog Number:
AA0004VF
Chemical Name:
5-Ethoxy-3-methyl-1-phenylpyrazole
CAS Number:
1016-41-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD00455777
IUPAC Name:
5-ethoxy-3-methyl-1-phenylpyrazole
InChI:
InChI=1S/C12H14N2O/c1-3-15-12-9-10(2)13-14(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChI Key:
HIXKUHSBZQQDHA-UHFFFAOYSA-N
SMILES:
CCOc1cc(nn1c1ccccc1)C
Properties
Computed Properties
 
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
5-Ethoxy-3-methyl-1-phenylpyrazole 
1016-41-7 
ZINC270749 
1-phenyl-3-methyl-5-ethoxypyrazole 
STK015336 
AKOS005377555 
MCULE-7544397739 
1-Phenyl-3-methyl-5-ethoxy-1H-pyrazole 
1H-Pyrazole,5-ethoxy-3-methyl-1-phenyl- 
AB00073617-01 
Ethyl 3-methyl-1-phenyl-1H-pyrazol-5-yl ether # 
CID555100 
5-Ethoxy-3-methyl-1-phenyl-1H-pyrazole 
ZINC00270749 
1H-Pyrazole, 5-ethoxy-3-methyl-1-phenyl- 
AC1LBBZ1 
Cambridge id 5102351 
CBDivE_001963 
CTK4A0039 
DTXSID20339268 
HIXKUHSBZQQDHA-UHFFFAOYSA-N 
Literature
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