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1242340-07-3 | 2,4,5-Trifluoro-3-(chlorosulfonyl)benzoic acid
CAS No: 1242340-07-3 Catalog No: AG01FA0K MDL No:MFCD16817585
Product Description
Catalog Number:
AG01FA0K
Chemical Name:
2,4,5-Trifluoro-3-(chlorosulfonyl)benzoic acid
CAS Number:
1242340-07-3
Molecular Formula:
C7H2ClF3O4S
Molecular Weight:
274.6016
MDL Number:
MFCD16817585
IUPAC Name:
3-chlorosulfonyl-2,4,5-trifluorobenzoic acid
InChI:
InChI=1S/C7H2ClF3O4S/c8-16(14,15)6-4(10)2(7(12)13)1-3(9)5(6)11/h1H,(H,12,13)
InChI Key:
RVISRJQQZGCBTD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)S(=O)(=O)Cl)F
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.931g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.594g/mol
Monoisotopic Mass:
273.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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