AG01BFST

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CAS Number	5613-27-4
Catalog Number	AG01BFST(AGN-PC-0WOMZ5)
Chemical Name	5-Bromo-2,3-dimethylbenzoic acid
IUPAC Name	5-bromo-2,3-dimethylbenzoic acid
InChI	InChI=1S/C9H9BrO2/c1-5-3-7(10)4-8(6(5)2)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key	ZCZLDHYJFFDDOE-UHFFFAOYSA-N
MDL Number	MFCD24107213
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	Cc1cc(cc(c1C)C(=O)O)Br
Synonyms	5-bromo-2,3-dimethylbenzoic acid, 5613-27-4, SCHEMBL1071109, ZCZLDHYJFFDDOE-UHFFFAOYSA-N, 5-Bromo-2,3-dimethyl-benzoic acid, AKOS020008645, ZINC115162661, FT-0721150, Z2515207562,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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