AG00I80M

Name: Benzoic acid, 5-bromo-2-hydroxy-3-methyl-, methyl ester
Brand: Angene Chemical
SKU: AG00I80M

40912-71-8 | Benzoic acid, 5-bromo-2-hydroxy-3-methyl-, methyl ester

AG00I80M

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CAS Number	40912-71-8
Catalog Number	AG00I80M(AGN-PC-02SLDK)
Chemical Name	Benzoic acid, 5-bromo-2-hydroxy-3-methyl-, methyl ester
IUPAC Name	methyl 5-bromo-2-hydroxy-3-methylbenzoate
InChI	InChI=1S/C9H9BrO3/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4,11H,1-2H3
InChI Key	BCJLJIDFGYFESV-UHFFFAOYSA-N
MDL Number	MFCD16293433
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	c1(c(c(cc(c1)Br)C)O)C(=O)OC
Synonyms	40912-71-8, METHYL 5-BROMO-2-HYDROXY-3-METHYLBENZOATE, Benzoic acid, 5-bromo-2-hydroxy-3-methyl-, methyl ester, SCHEMBL3310733, ZINC60071301, 5-bromo-3-methylsalicylic acid methyl ester,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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