Home Sulfos Methyl 5-chlorosulfonyl-2-methoxy-benzoate

Methyl 5-chlorosulfonyl-2-methoxy-benzoate

CAS No.:
191471-91-7
Catalog Number:
AG019D7E
Molecular Formula:
C9H9ClO5S
Molecular Weight:
264.6828
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Product Description
Catalog Number:
AG019D7E
Chemical Name:
Methyl 5-chlorosulfonyl-2-methoxy-benzoate
CAS Number:
191471-91-7
Molecular Formula:
C9H9ClO5S
Molecular Weight:
264.6828
MDL Number:
MFCD12169468
IUPAC Name:
methyl 5-chlorosulfonyl-2-methoxybenzoate
InChI:
InChI=1S/C9H9ClO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3
InChI Key:
YDEWENZFUMWNIM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1OC)S(=O)(=O)Cl
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.986g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.676g/mol
Monoisotopic Mass:
263.986g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties