Home Other Building Blocks 3-CHLOROSULFONYL-BUTYRIC ACID METHYL ESTER

3-CHLOROSULFONYL-BUTYRIC ACID METHYL ESTER

CAS No.:
1154388-34-7
Catalog Number:
AG01DYG0
Molecular Formula:
C5H9ClO4S
Molecular Weight:
200.6406
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Product Description
Catalog Number:
AG01DYG0
Chemical Name:
3-CHLOROSULFONYL-BUTYRIC ACID METHYL ESTER
CAS Number:
1154388-34-7
Molecular Formula:
C5H9ClO4S
Molecular Weight:
200.6406
MDL Number:
MFCD13723737
IUPAC Name:
methyl 3-chlorosulfonylbutanoate
InChI:
InChI=1S/C5H9ClO4S/c1-4(11(6,8)9)3-5(7)10-2/h4H,3H2,1-2H3
InChI Key:
KMPWMWOHXAFNTH-UHFFFAOYSA-N
SMILES:
COC(=O)CC(S(=O)(=O)Cl)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.991g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.633g/mol
Monoisotopic Mass:
199.991g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties