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112009-28-6 | 1,5-Diphenyl-1H-pyrazole-3-carbaldehyde
CAS No: 112009-28-6 Catalog No: AG007UX7 MDL No:MFCD04115088
Product Description
Catalog Number:
AG007UX7
Chemical Name:
1,5-Diphenyl-1H-pyrazole-3-carbaldehyde
CAS Number:
112009-28-6
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
MDL Number:
MFCD04115088
IUPAC Name:
1,5-diphenylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C16H12N2O/c19-12-14-11-16(13-7-3-1-4-8-13)18(17-14)15-9-5-2-6-10-15/h1-12H
InChI Key:
KUMVINZWWAVEME-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(n1)c1ccccc1)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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