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1780-29-6

1780-29-6 | Pyrimidine, 4,5,6-trichloro-2-(chloromethyl)-

CAS No: 1780-29-6 Catalog No: AG0025PX MDL No:

Product Description

Catalog Number:
AG0025PX
Chemical Name:
Pyrimidine, 4,5,6-trichloro-2-(chloromethyl)-
CAS Number:
1780-29-6
Molecular Formula:
C5H2Cl4N2
Molecular Weight:
231.8948
IUPAC Name:
4,5,6-trichloro-2-(chloromethyl)pyrimidine
InChI:
InChI=1S/C5H2Cl4N2/c6-1-2-10-4(8)3(7)5(9)11-2/h1H2
InChI Key:
KELKCAIZKGTAPS-UHFFFAOYSA-N
SMILES:
ClCc1nc(Cl)c(c(n1)Cl)Cl
NSC Number:
31713

Properties

Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.894g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.885g/mol
Monoisotopic Mass:
229.897g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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