Home Sulfos 2-bromo-3-(chlorosulfonyl)-5-fluorobenzoic acid

2-bromo-3-(chlorosulfonyl)-5-fluorobenzoic acid

CAS No.:
926194-65-2
Catalog Number:
AG01A87H
Molecular Formula:
C7H3BrClFO4S
Molecular Weight:
317.5167
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Product Description
Catalog Number:
AG01A87H
Chemical Name:
2-bromo-3-(chlorosulfonyl)-5-fluorobenzoic acid
CAS Number:
926194-65-2
Molecular Formula:
C7H3BrClFO4S
Molecular Weight:
317.5167
MDL Number:
MFCD09043932
IUPAC Name:
2-bromo-3-chlorosulfonyl-5-fluorobenzoic acid
InChI:
InChI=1S/C7H3BrClFO4S/c8-6-4(7(11)12)1-3(10)2-5(6)15(9,13)14/h1-2H,(H,11,12)
InChI Key:
MINRMMAOSLWBFK-UHFFFAOYSA-N
SMILES:
Fc1cc(C(=O)O)c(c(c1)S(=O)(=O)Cl)Br
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.861g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.509g/mol
Monoisotopic Mass:
315.861g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties