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956777-84-7 | 3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS No: 956777-84-7 Catalog No: AG019NMH MDL No:MFCD05987329
Product Description
Catalog Number:
AG019NMH
Chemical Name:
3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
956777-84-7
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD05987329
IUPAC Name:
3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C18H16N2O/c1-13-8-9-15(10-14(13)2)18-16(12-21)11-20(19-18)17-6-4-3-5-7-17/h3-12H,1-2H3
InChI Key:
HYMDDEKDKOPGOH-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(c(c1)C)C)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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