Home Aldehydes 1015845-87-0
1015845-87-0,MFCD08059863
Catalog No.:AA0004SA
1015845-87-0 | Benzaldehyde, 3,5-dimethyl-2-(1H-pyrazol-1-yl)-
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1g
95%
in stock  
$74.00   $52.00
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5g
95%
in stock  
$212.00   $148.00
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Technical Information
Catalog Number:
AA0004SA
Chemical Name:
Benzaldehyde, 3,5-dimethyl-2-(1H-pyrazol-1-yl)-
CAS Number:
1015845-87-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD08059863
IUPAC Name:
3,5-dimethyl-2-pyrazol-1-ylbenzaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-6-10(2)12(11(7-9)8-15)14-5-3-4-13-14/h3-8H,1-2H3
InChI Key:
ANDWMSARSMGVCR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1n1cccn1)C
Properties
Computed Properties
 
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3,5-DIMETHYL-2-(1H-PYRAZOL-1-YL)BENZALDEHYDE 
1015845-87-0 
TR-000400 
3,5-dimethyl-2-(pyrazol-1-yl)benzaldehyde 
FT-0681585 
Y-3434 
Benzaldehyde, 3,5-dimethyl-2-(1H-pyrazol-1-yl)- 
I01-13688 
4011981-25G 
C12H12N2O 
CTK3J9946 
DTXSID10650853 
ZX-CM003826 
7389AC 
MFCD08059863 
ZINC19089527 
AKOS006339510 
AJ-71203 
Literature
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