Home Carboxys 5-Chloro-2-methylpyrimidine-4-carboxylic acid

5-Chloro-2-methylpyrimidine-4-carboxylic acid

CAS No.:
74840-47-4
Catalog Number:
AG0058U3
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
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Product Description
Catalog Number:
AG0058U3
Chemical Name:
5-Chloro-2-methylpyrimidine-4-carboxylic acid
CAS Number:
74840-47-4
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD00223741
IUPAC Name:
5-chloro-2-methylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H5ClN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)
InChI Key:
WKVFRUIYIXKKFO-UHFFFAOYSA-N
SMILES:
Cc1ncc(c(n1)C(=O)O)Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties