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1015846-03-3,MFCD00299070
Catalog No.:AA0004TC
1015846-03-3 | 4-((6-(1H-Pyrazol-1-yl)pyrimidin-4-yl)oxy)benzaldehyde
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5g
95%
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$945.00   $662.00
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Technical Information
Catalog Number:
AA0004TC
Chemical Name:
4-((6-(1H-Pyrazol-1-yl)pyrimidin-4-yl)oxy)benzaldehyde
CAS Number:
1015846-03-3
Molecular Formula:
C14H10N4O2
Molecular Weight:
266.2548
MDL Number:
MFCD00299070
IUPAC Name:
4-(6-pyrazol-1-ylpyrimidin-4-yl)oxybenzaldehyde
InChI:
InChI=1S/C14H10N4O2/c19-9-11-2-4-12(5-3-11)20-14-8-13(15-10-16-14)18-7-1-6-17-18/h1-10H
InChI Key:
WBGLNODRVAPPED-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Oc1ncnc(c1)n1cccn1
Properties
Computed Properties
 
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.08g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.26g/mol
Monoisotopic Mass:
266.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
1015846-03-3 
4-{[6-(1H-PYRAZOL-1-YL)-4-PYRIMIDINYL]OXY}BENZALDEHYDE 
AKOS022184384 
AJ-72213 
W-6798 
Benzaldehyde, 4-[[6-(1H-pyrazol-1-yl)-4-pyrimidinyl]oxy]- 
4-(6-pyrazol-1-ylpyrimidin-4-yl)oxybenzaldehyde 
4-((6-(1H-Pyrazol-1-yl)pyrimidin-4-yl)oxy)benzaldehyde 
4-([6-(1h-pyrazol-1-yl)-4-pyrimidinyl]oxy)benzaldehyde 
4-{[6-(1H-Pyrazol-1-yl)pyrimidin-4-yl]oxy}benzaldehyde 
CTK3J9958 
DTXSID40651055 
ZX-CM015468 
MFCD00299070 
ZINC19093720 
Literature
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