AG01ABUC

Name: 4-(butylsulfanyl)-3-(trifluoromethyl)benzoic acid
Brand: Angene Chemical
SKU: AG01ABUC

1461705-87-2 | 4-(butylsulfanyl)-3-(trifluoromethyl)benzoic acid

AG01ABUC

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CAS Number	1461705-87-2
Catalog Number	AG01ABUC
Chemical Name	4-(butylsulfanyl)-3-(trifluoromethyl)benzoic acid
IUPAC Name	4-butylsulfanyl-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C12H13F3O2S/c1-2-3-6-18-10-5-4-8(11(16)17)7-9(10)12(13,14)15/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChI Key	OSTOMFHRGDRDQN-UHFFFAOYSA-N
MDL Number	MFCD26407743
Molecular Formula	C12H13F3O2S
Molecular Weight	278.2906
SMILES	CCCCSC1=C(C(F)(F)F)C=C(C(O)=O)C=C1
Synonyms	4-(butylsulfanyl)-3-(trifluoromethyl)benzoic acid, 1461705-87-2, ZINC95829348,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.058835g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.29g/mol
Monoisotopic Mass	278.058835g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	62.6Å²
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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