Home Sulfos methyl 4-(chlorosulfonyl)-3-methoxybenzoate

methyl 4-(chlorosulfonyl)-3-methoxybenzoate

CAS No.:
162141-56-2
Catalog Number:
AG01AGBS
Molecular Formula:
C9H9ClO5S
Molecular Weight:
264.6828
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Product Description
Catalog Number:
AG01AGBS
Chemical Name:
methyl 4-(chlorosulfonyl)-3-methoxybenzoate
CAS Number:
162141-56-2
Molecular Formula:
C9H9ClO5S
Molecular Weight:
264.6828
IUPAC Name:
methyl 4-chlorosulfonyl-3-methoxybenzoate
InChI:
InChI=1S/C9H9ClO5S/c1-14-7-5-6(9(11)15-2)3-4-8(7)16(10,12)13/h3-5H,1-2H3
InChI Key:
PUJYXVAATTZGRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)OC)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:
1.8  
Properties