Home Halogens methyl 3-[(6-chloropyridin-2-yl)sulfanyl]propanoate

methyl 3-[(6-chloropyridin-2-yl)sulfanyl]propanoate

CAS No.:
1343967-53-2
Catalog Number:
AG01DVVR
Molecular Formula:
C9H10ClNO2S
Molecular Weight:
231.6992
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Product Description
Catalog Number:
AG01DVVR
Chemical Name:
methyl 3-[(6-chloropyridin-2-yl)sulfanyl]propanoate
CAS Number:
1343967-53-2
Molecular Formula:
C9H10ClNO2S
Molecular Weight:
231.6992
MDL Number:
MFCD18263072
IUPAC Name:
methyl 3-(6-chloropyridin-2-yl)sulfanylpropanoate
InChI:
InChI=1S/C9H10ClNO2S/c1-13-9(12)5-6-14-8-4-2-3-7(10)11-8/h2-4H,5-6H2,1H3
InChI Key:
MZQQXNVTYHZWHB-UHFFFAOYSA-N
SMILES:
COC(=O)CCSc1cccc(n1)Cl
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.694g/mol
Monoisotopic Mass:
231.012g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties