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1242338-93-7 | 2-Chloro-3-(chlorosulfonyl)-5-fluorobenzoic acid
CAS No: 1242338-93-7 Catalog No: AG01F9GH MDL No:MFCD16817597
Product Description
Catalog Number:
AG01F9GH
Chemical Name:
2-Chloro-3-(chlorosulfonyl)-5-fluorobenzoic acid
CAS Number:
1242338-93-7
Molecular Formula:
C7H3Cl2FO4S
Molecular Weight:
273.0657
MDL Number:
MFCD16817597
IUPAC Name:
2-chloro-3-chlorosulfonyl-5-fluorobenzoic acid
InChI:
InChI=1S/C7H3Cl2FO4S/c8-6-4(7(11)12)1-3(10)2-5(6)15(9,13)14/h1-2H,(H,11,12)
InChI Key:
DXPXTGIHDYFKAB-UHFFFAOYSA-N
SMILES:
Fc1cc(C(=O)O)c(c(c1)S(=O)(=O)Cl)Cl
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.911g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.055g/mol
Monoisotopic Mass:
271.911g/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
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