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Home > Fluorides > 623943-54-4
623943-54-4 | 2-Methyl-5-(pentafluorosulfur)benzoic acid
CAS No: 623943-54-4 Catalog No: AG01EWOL MDL No:
Product Description
Catalog Number:
AG01EWOL
Chemical Name:
2-Methyl-5-(pentafluorosulfur)benzoic acid
CAS Number:
623943-54-4
Molecular Formula:
C8H7F5O2S
Molecular Weight:
262.1970
IUPAC Name:
2-methyl-5-(pentafluoro-λ6-sulfanyl)benzoic acid
InChI:
InChI=1S/C8H7F5O2S/c1-5-2-3-6(4-7(5)8(14)15)16(9,10,11,12)13/h2-4H,1H3,(H,14,15)
InChI Key:
HSIPIUUYFOAFKK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C)S(F)(F)(F)(F)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.194g/mol
Monoisotopic Mass:
262.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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