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Home > Aldehydes > 956438-63-4
956438-63-4 | 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CAS No: 956438-63-4 Catalog No: AG019P4T MDL No:MFCD07343848
Product Description
Catalog Number:
AG019P4T
Chemical Name:
1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956438-63-4
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
MDL Number:
MFCD07343848
IUPAC Name:
1-benzyl-3-thiophen-2-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C15H12N2OS/c18-11-13-10-17(9-12-5-2-1-3-6-12)16-15(13)14-7-4-8-19-14/h1-8,10-11H,9H2
InChI Key:
VLKYAOHVKGPROV-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1cccs1)Cc1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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