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Home > Aldehydes > 956261-61-3
956261-61-3 | 1-benzyl-3-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 956261-61-3 Catalog No: AG019NTL MDL No:MFCD06375932
Product Description
Catalog Number:
AG019NTL
Chemical Name:
1-benzyl-3-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956261-61-3
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
MDL Number:
MFCD06375932
IUPAC Name:
1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C18H16N2O2/c1-22-17-10-6-5-9-16(17)18-15(13-21)12-20(19-18)11-14-7-3-2-4-8-14/h2-10,12-13H,11H2,1H3
InChI Key:
CNMSAXVNISBLFH-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccccc1OC)Cc1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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