ethyl 4,6-dichloropyrimidine-5-carboxylate


Chemical Name: ethyl 4,6-dichloropyrimidine-5-carboxylate
CAS Number: 87600-72-4
Product Number: AG00H0XL(AGN-PC-04RZGW)
Synonyms:
MDL No:
Molecular Formula: C7H6Cl2N2O2
Molecular Weight: 221.0407

Identification/Properties


Computed Properties
Molecular Weight:
221.037g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
219.981g/mol
Monoisotopic Mass:
219.981g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314-H318
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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