Home Aldehydes 1015845-86-9
1015845-86-9,MFCD08059862
Catalog No.:AA0004SB
1015845-86-9 | 2,4-Dimethyl-6-(1H-pyrazol-1-yl)benzaldehyde
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1g
95%
in stock  
$37.00   $26.00
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5g
95%
in stock  
$107.00   $75.00
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Technical Information
Catalog Number:
AA0004SB
Chemical Name:
2,4-Dimethyl-6-(1H-pyrazol-1-yl)benzaldehyde
CAS Number:
1015845-86-9
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD08059862
IUPAC Name:
2,4-dimethyl-6-pyrazol-1-ylbenzaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-6-10(2)11(8-15)12(7-9)14-5-3-4-13-14/h3-8H,1-2H3
InChI Key:
XUMYFVVVQGGVSQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(cc1n1cccn1)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
 
2,4-DIMETHYL-6-(1H-PYRAZOL-1-YL)BENZALDEHYDE 
1015845-86-9 
Benzaldehyde, 2,4-dimethyl-6-(1H-pyrazol-1-yl)- 
4011980-25G 
4011980-50G 
2,4-dimethyl-6-pyrazol-1-ylbenzaldehyde 
CTK3J9945 
DTXSID50650852 
ZX-CM003825 
MFCD08059862 
ZINC19089522 
AKOS006339509 
AJ-71202 
Y-3433 
Literature
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