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87838-35-5 | 1H-Pyrazole-5-carboxaldehyde, 1,3-diphenyl-
CAS No: 87838-35-5 Catalog No: AG004H78 MDL No:
Product Description
Catalog Number:
AG004H78
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1,3-diphenyl-
CAS Number:
87838-35-5
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
2,5-diphenylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C16H12N2O/c19-12-15-11-16(13-7-3-1-4-8-13)17-18(15)14-9-5-2-6-10-14/h1-12H
InChI Key:
YPXPQYROPWAWLK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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