Home Sulfos methyl 2-[3-(chlorosulfonyl)phenyl]acetate

methyl 2-[3-(chlorosulfonyl)phenyl]acetate

CAS No.:
259191-92-9
Catalog Number:
AG01BCLE
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
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Product Description
Catalog Number:
AG01BCLE
Chemical Name:
methyl 2-[3-(chlorosulfonyl)phenyl]acetate
CAS Number:
259191-92-9
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD19200168
IUPAC Name:
methyl 2-(3-chlorosulfonylphenyl)acetate
InChI:
InChI=1S/C9H9ClO4S/c1-14-9(11)6-7-3-2-4-8(5-7)15(10,12)13/h2-5H,6H2,1H3
InChI Key:
BPDSHHYIJSBWPL-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1)S(=O)(=O)Cl
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties