AG01FBDD

Name: 3-Methyl-5-(pentafluorosulfur)benzoic acid
Brand: Angene Chemical
SKU: AG01FBDD

1448317-68-7 | 3-Methyl-5-(pentafluorosulfur)benzoic acid

AG01FBDD

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CAS Number	1448317-68-7
Catalog Number	AG01FBDD(AGN-PC-0WCJTW)
Chemical Name	3-Methyl-5-(pentafluorosulfur)benzoic acid
IUPAC Name	3-methyl-5-(pentafluoro-λ6-sulfanyl)benzoic acid
InChI	InChI=1S/C8H7F5O2S/c1-5-2-6(8(14)15)4-7(3-5)16(9,10,11,12)13/h2-4H,1H3,(H,14,15)
InChI Key	DHRPCCNJMXXYMQ-UHFFFAOYSA-N
MDL Number	MFCD16652478
Molecular Formula	C8H7F5O2S
Molecular Weight	262.1970
SMILES	Cc1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)O
Synonyms	3-Methyl-5-(pentafluorosulfur)benzoic acid, MFCD16652478, 1448317-68-7, 1240257-00-4, SCHEMBL15123394, DHRPCCNJMXXYMQ-UHFFFAOYSA-N, ZINC97949985, AKOS015957196, JS-4072, 3-Methyl-5-(pentafluorothio)benzoic acid, PC405663, 3-Methyl-5-(pentafluoro-lambda6-sulphanyl)benzoic acid, 3-METHYL-5-(PENTAFLUORO-??-SULFANYL)BENZOIC ACID,

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

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited