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1242339-15-6 | 4-Chloro-2,5-difluoro-3-(chlorosulfonyl)benzoic acid
CAS No: 1242339-15-6 Catalog No: AG01F8FO MDL No:MFCD16817584
Product Description
Catalog Number:
AG01F8FO
Chemical Name:
4-Chloro-2,5-difluoro-3-(chlorosulfonyl)benzoic acid
CAS Number:
1242339-15-6
Molecular Formula:
C7H2Cl2F2O4S
Molecular Weight:
291.0562
MDL Number:
MFCD16817584
IUPAC Name:
4-chloro-3-chlorosulfonyl-2,5-difluorobenzoic acid
InChI:
InChI=1S/C7H2Cl2F2O4S/c8-4-3(10)1-2(7(12)13)5(11)6(4)16(9,14)15/h1H,(H,12,13)
InChI Key:
AAZIYDTWXBAGLW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)S(=O)(=O)Cl)Cl
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.902g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.046g/mol
Monoisotopic Mass:
289.902g/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
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