Home Halogens 6-chloro-2-(methylsulfanyl)pyridine-3-carboxylic acid

6-chloro-2-(methylsulfanyl)pyridine-3-carboxylic acid

CAS No.:
1343727-62-7
Catalog Number:
AG019TPY
Molecular Formula:
C7H6ClNO2S
Molecular Weight:
203.6460
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Product Description
Catalog Number:
AG019TPY
Chemical Name:
6-chloro-2-(methylsulfanyl)pyridine-3-carboxylic acid
CAS Number:
1343727-62-7
Molecular Formula:
C7H6ClNO2S
Molecular Weight:
203.6460
MDL Number:
MFCD18343703
IUPAC Name:
6-chloro-2-methylsulfanylpyridine-3-carboxylic acid
InChI:
InChI=1S/C7H6ClNO2S/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3H,1H3,(H,10,11)
InChI Key:
AEKOIJWVAYFEBE-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)ccc1C(=O)O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.981g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.64g/mol
Monoisotopic Mass:
202.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties