AG01BH64

Name: 3-bromo-4-(methylsulfanyl)benzoic acid
Brand: Angene Chemical
SKU: AG01BH64

58123-71-0 | 3-bromo-4-(methylsulfanyl)benzoic acid

AG01BH64

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CAS Number	58123-71-0
Catalog Number	AG01BH64
Chemical Name	3-bromo-4-(methylsulfanyl)benzoic acid
IUPAC Name	3-bromo-4-methylsulfanylbenzoic acid
InChI	InChI=1S/C8H7BrO2S/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key	LJSXFPBEXJQCFH-UHFFFAOYSA-N
MDL Number	MFCD24308171
Molecular Formula	C8H7BrO2S
Molecular Weight	247.1090
SMILES	CSC1=C(Br)C=C(C(O)=O)C=C1
Synonyms	3-bromo-4-(methylsulfanyl)benzoic acid, 58123-71-0, AKOS021121046, ZINC169260751, FT-0734021, 3-bromo-4-(methylthio)Benzoic acid,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.935g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.106g/mol
Monoisotopic Mass	245.935g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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