AG01C07K

Name: 4-Bromo-3-(methylsulfanyl)benzoic acid
Brand: Angene Chemical
SKU: AG01C07K

851334-60-6 | 4-Bromo-3-(methylsulfanyl)benzoic acid

AG01C07K

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CAS Number	851334-60-6
Catalog Number	AG01C07K(AGN-PC-0OJO3D)
Chemical Name	4-Bromo-3-(methylsulfanyl)benzoic acid
IUPAC Name	4-bromo-3-methylsulfanylbenzoic acid
InChI	InChI=1S/C8H7BrO2S/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key	RHYDEIRJFPKZAE-UHFFFAOYSA-N
MDL Number	MFCD22489501
Molecular Formula	C8H7BrO2S
Molecular Weight	247.1090
SMILES	BrC1=C(C=C(C(=O)O)C=C1)SC
Synonyms	4-bromo-3-(methylthio)benzoic acid, 851334-60-6, 4-bromo-3-(methylsulfanyl)benzoic acid, MFCD22489501, AKOS033999874, ZINC215938086, Z2731710874,

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