Home Halogens 4-chloro-6-methoxypyrimidine-5-carboxylic acid

4-chloro-6-methoxypyrimidine-5-carboxylic acid

CAS No.:
4320-02-9
Catalog Number:
AG01ABM8
Molecular Formula:
C6H5ClN2O3
Molecular Weight:
188.5685
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Product Description
Catalog Number:
AG01ABM8
Chemical Name:
4-chloro-6-methoxypyrimidine-5-carboxylic acid
CAS Number:
4320-02-9
Molecular Formula:
C6H5ClN2O3
Molecular Weight:
188.5685
MDL Number:
MFCD16657446
IUPAC Name:
4-chloro-6-methoxypyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H5ClN2O3/c1-12-5-3(6(10)11)4(7)8-2-9-5/h2H,1H3,(H,10,11)
InChI Key:
VQTOTBXZLOEKOH-UHFFFAOYSA-N
SMILES:
COc1ncnc(c1C(=O)O)Cl
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.567g/mol
Monoisotopic Mass:
187.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties