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218594-00-4 | 1-Trityl-1H-pyrazole-4-carbaldehyde
CAS No: 218594-00-4 Catalog No: AG007P0B MDL No:MFCD23135632
Product Description
Catalog Number:
AG007P0B
Chemical Name:
1-Trityl-1H-pyrazole-4-carbaldehyde
CAS Number:
218594-00-4
Molecular Formula:
C23H18N2O
Molecular Weight:
338.4018
MDL Number:
MFCD23135632
IUPAC Name:
1-tritylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C23H18N2O/c26-18-19-16-24-25(17-19)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChI Key:
DSTCGJWJDCULEH-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.41g/mol
Monoisotopic Mass:
338.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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