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50270-27-4

50270-27-4 | 2,4,6-Trichloropyrimidine-5-carbaldehyde

CAS No: 50270-27-4 Catalog No: AG0032YK MDL No:MFCD02257700

Product Description

Catalog Number:
AG0032YK
Chemical Name:
2,4,6-Trichloropyrimidine-5-carbaldehyde
CAS Number:
50270-27-4
Molecular Formula:
C5HCl3N2O
Molecular Weight:
211.4332
MDL Number:
MFCD02257700
IUPAC Name:
2,4,6-trichloropyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
InChI Key:
KVJIRFGNHAAUNQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nc(nc1Cl)Cl

Properties

Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.915g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.426g/mol
Monoisotopic Mass:
209.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
A regioselective approach to trisubstituted 2 (or 6)-arylaminopyrimidine-5-carbaldehydes and their application in the synthesis of structurally and electronically unique GlambdaC base precursors. The Journal of organic chemistry 20080201

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