Home Sulfos 4-[(chlorosulfonyl)methyl]benzoic acid

4-[(chlorosulfonyl)methyl]benzoic acid

CAS No.:
92614-57-8
Catalog Number:
AG01AD9R
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
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Product Description
Catalog Number:
AG01AD9R
Chemical Name:
4-[(chlorosulfonyl)methyl]benzoic acid
CAS Number:
92614-57-8
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
MDL Number:
MFCD18324286
IUPAC Name:
4-(chlorosulfonylmethyl)benzoic acid
InChI:
InChI=1S/C8H7ClO4S/c9-14(12,13)5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
DAGYFDUEPISFBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CS(=O)(=O)Cl
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.975g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.65g/mol
Monoisotopic Mass:
233.975g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties