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Home > Aldehydes > 956373-98-1
956373-98-1 | 1-benzyl-3-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 956373-98-1 Catalog No: AG019NXB MDL No:MFCD06380388
Product Description
Catalog Number:
AG019NXB
Chemical Name:
1-benzyl-3-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956373-98-1
Molecular Formula:
C17H13ClN2O
Molecular Weight:
296.7509
MDL Number:
MFCD06380388
IUPAC Name:
1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C17H13ClN2O/c18-16-8-6-14(7-9-16)17-15(12-21)11-20(19-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChI Key:
ZXIUTKHOQURDOG-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(cc1)Cl)Cc1ccccc1
Properties
Complexity:
338
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:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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