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36640-46-7

36640-46-7 | 1H-Pyrazole-4-carboxaldehyde, 3-(4-chlorophenyl)-1-(4-methylphenyl)-

CAS No: 36640-46-7 Catalog No: AG0078SN MDL No:

Product Description

Catalog Number:
AG0078SN
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(4-chlorophenyl)-1-(4-methylphenyl)-
CAS Number:
36640-46-7
Molecular Formula:
C17H13ClN2O
Molecular Weight:
296.7509
IUPAC Name:
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C17H13ClN2O/c1-12-2-8-16(9-3-12)20-10-14(11-21)17(19-20)13-4-6-15(18)7-5-13/h2-11H,1H3
InChI Key:
YUHLZTUADOSLDX-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(cc1)Cl)c1ccc(cc1)C

Properties

Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.072g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.754g/mol
Monoisotopic Mass:
296.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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