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926223-16-7 | 3-(chlorosulfonyl)-2,5-difluorobenzoic acid
CAS No: 926223-16-7 Catalog No: AG00PAVT MDL No:MFCD09047824
Product Description
Catalog Number:
AG00PAVT
Chemical Name:
3-(chlorosulfonyl)-2,5-difluorobenzoic acid
CAS Number:
926223-16-7
Molecular Formula:
C7H3ClF2O4S
Molecular Weight:
256.6111
MDL Number:
MFCD09047824
IUPAC Name:
3-chlorosulfonyl-2,5-difluorobenzoic acid
InChI:
InChI=1S/C7H3ClF2O4S/c8-15(13,14)5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,(H,11,12)
InChI Key:
LGBNVUCZKQWBFQ-UHFFFAOYSA-N
SMILES:
Fc1cc(C(=O)O)c(c(c1)S(=O)(=O)Cl)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.941g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.604g/mol
Monoisotopic Mass:
255.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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