Home Halogens 6-chloro-2-methylpyrimidine-4-carboxylic acid

6-chloro-2-methylpyrimidine-4-carboxylic acid

CAS No.:
136518-06-4
Catalog Number:
AG01BHFI
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
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Product Description
Catalog Number:
AG01BHFI
Chemical Name:
6-chloro-2-methylpyrimidine-4-carboxylic acid
CAS Number:
136518-06-4
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD16657355
IUPAC Name:
6-chloro-2-methylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H5ClN2O2/c1-3-8-4(6(10)11)2-5(7)9-3/h2H,1H3,(H,10,11)
InChI Key:
MVQGBWJTCJZVPO-UHFFFAOYSA-N
SMILES:
Clc1nc(C)nc(c1)C(=O)O
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:
1.4  
Properties