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956753-10-9 | 1-benzyl-3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 956753-10-9 Catalog No: AG019NN7 MDL No:MFCD06362484
Product Description
Catalog Number:
AG019NN7
Chemical Name:
1-benzyl-3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956753-10-9
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD06362484
IUPAC Name:
1-benzyl-3-(3-methylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C18H16N2O/c1-14-6-5-9-16(10-14)18-17(13-21)12-20(19-18)11-15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3
InChI Key:
BOFWJVUVEURHRN-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1cccc(c1)C)Cc1ccccc1
Properties
Complexity:
340
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:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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