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Home > Aldehydes > 143034-51-9
143034-51-9 | 5-Pyrimidinecarboxaldehyde, 4-phenyl-2-(trichloromethyl)-
CAS No: 143034-51-9 Catalog No: AG006WZP MDL No:
Product Description
Catalog Number:
AG006WZP
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-phenyl-2-(trichloromethyl)-
CAS Number:
143034-51-9
Molecular Formula:
C12H7Cl3N2O
Molecular Weight:
301.5558
IUPAC Name:
4-phenyl-2-(trichloromethyl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C12H7Cl3N2O/c13-12(14,15)11-16-6-9(7-18)10(17-11)8-4-2-1-3-5-8/h1-7H
InChI Key:
COWNHLGLYFNDPW-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1c1ccccc1)C(Cl)(Cl)Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.962g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.551g/mol
Monoisotopic Mass:
299.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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