4-chloro-2-methylpyrimidine-5-carboxylic acid


Chemical Name: 4-chloro-2-methylpyrimidine-5-carboxylic acid
CAS Number: 933702-81-9
Product Number: AG0036TA(AGN-PC-03UNB4)
Synonyms:
MDL No:
Molecular Formula: C6H5ClN2O2
Molecular Weight: 172.5691

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
172.568g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
172.004g/mol
Monoisotopic Mass:
172.004g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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