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Home Halogens 2,4,6-Trichloropyrimidine

2,4,6-Trichloropyrimidine

CAS No.:
3764-01-0
Catalog Number:
AG003FMX
Molecular Formula:
C4HCl3N2
Molecular Weight:
183.4231
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$30
- +
100g
98%
In Stock USA
United States
$82
- +
500g
98%
In Stock USA
United States
$297
- +
Product Description
Catalog Number:
AG003FMX
Chemical Name:
2,4,6-Trichloropyrimidine
CAS Number:
3764-01-0
Molecular Formula:
C4HCl3N2
Molecular Weight:
183.4231
MDL Number:
MFCD00006063
IUPAC Name:
2,4,6-trichloropyrimidine
InChI:
InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChI Key:
DPVIABCMTHHTGB-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)Cl
EC Number:
223-183-0
NSC Number:
6494
Properties
Complexity:
89.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.921g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.416g/mol
Monoisotopic Mass:
181.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Comparative computational and experimental study on the thermochemistry of the chloropyrimidines. The journal of physical chemistry. B 20070201
Sequential nucleophilic substitution on halogenated triazines, pyrimidines, and purines: a novel approach to cyclic peptidomimetics. The Journal of organic chemistry 20010126
Properties