Home Carboxys 5-fluoro-4-methoxypyrimidine-2-carboxylic acid

5-fluoro-4-methoxypyrimidine-2-carboxylic acid

CAS No.:
1545825-63-5
Catalog Number:
AG01DVLT
Molecular Formula:
C6H5FN2O3
Molecular Weight:
172.1139
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Product Description
Catalog Number:
AG01DVLT
Chemical Name:
5-fluoro-4-methoxypyrimidine-2-carboxylic acid
CAS Number:
1545825-63-5
Molecular Formula:
C6H5FN2O3
Molecular Weight:
172.1139
MDL Number:
MFCD28639969
IUPAC Name:
5-fluoro-4-methoxypyrimidine-2-carboxylic acid
InChI:
InChI=1S/C6H5FN2O3/c1-12-5-3(7)2-8-4(9-5)6(10)11/h2H,1H3,(H,10,11)
InChI Key:
XKVTZCMSDQAWHZ-UHFFFAOYSA-N
SMILES:
COc1nc(ncc1F)C(=O)O
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.115g/mol
Monoisotopic Mass:
172.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties