Home Sulfos 5-(chlorosulfonyl)-2-iodo-3-methylbenzoic acid

5-(chlorosulfonyl)-2-iodo-3-methylbenzoic acid

CAS No.:
1099186-84-1
Catalog Number:
AG01B2V1
Molecular Formula:
C8H6ClIO4S
Molecular Weight:
360.5533
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Product Description
Catalog Number:
AG01B2V1
Chemical Name:
5-(chlorosulfonyl)-2-iodo-3-methylbenzoic acid
CAS Number:
1099186-84-1
Molecular Formula:
C8H6ClIO4S
Molecular Weight:
360.5533
MDL Number:
MFCD11650167
IUPAC Name:
5-chlorosulfonyl-2-iodo-3-methylbenzoic acid
InChI:
InChI=1S/C8H6ClIO4S/c1-4-2-5(15(9,13)14)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
VCAAZSBGEXSXEP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1I)C)S(=O)(=O)Cl
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.872g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
360.546g/mol
Monoisotopic Mass:
359.872g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties