Home Sulfos 3-bromo-5-(chlorosulfonyl)benzoic acid

3-bromo-5-(chlorosulfonyl)benzoic acid

CAS No.:
1183308-29-3
Catalog Number:
AG019GYD
Molecular Formula:
C7H4BrClO4S
Molecular Weight:
299.5263
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Product Description
Catalog Number:
AG019GYD
Chemical Name:
3-bromo-5-(chlorosulfonyl)benzoic acid
CAS Number:
1183308-29-3
Molecular Formula:
C7H4BrClO4S
Molecular Weight:
299.5263
MDL Number:
MFCD09864394
IUPAC Name:
3-bromo-5-chlorosulfonylbenzoic acid
InChI:
InChI=1S/C7H4BrClO4S/c8-5-1-4(7(10)11)2-6(3-5)14(9,12)13/h1-3H,(H,10,11)
InChI Key:
IMAIAELPYHNWME-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)S(=O)(=O)Cl)C(=O)O
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.87g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.519g/mol
Monoisotopic Mass:
297.87g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties