5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, ethyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, ethyl ester
CAS Number: 187035-79-6
Product Number: AG00APBH(AGN-PC-0KL07U)
Synonyms:
MDL No: MFCD01312372
Molecular Formula: C8H6ClF3N2O2
Molecular Weight: 254.5936

Identification/Properties


Properties
BP:
336.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
254.593g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
254.007g/mol
Monoisotopic Mass:
254.007g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
262
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:
Warning
UN#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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