AG001SP9

Name: Methyl 3-Acetyl-4-Bromobenzoate
Brand: Angene Chemical
SKU: AG001SP9

1620678-03-6 | Methyl 3-Acetyl-4-Bromobenzoate

AG001SP9

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CAS Number	1620678-03-6
Catalog Number	AG001SP9
Chemical Name	Methyl 3-Acetyl-4-Bromobenzoate
IUPAC Name	methyl 3-acetyl-4-bromobenzoate
InChI	InChI=1S/C10H9BrO3/c1-6(12)8-5-7(10(13)14-2)3-4-9(8)11/h3-5H,1-2H3
InChI Key	QQEZIPVFHCDBCX-UHFFFAOYSA-N
MDL Number	MFCD28968077
Molecular Formula	C10H9BrO3
Molecular Weight	257.0807
SMILES	O=C(OC)C1=CC=C(Br)C(C(C)=O)=C1
Synonyms	methyl 3-acetyl-4-bromobenzoate, 1620678-03-6, SCHEMBL15878431, QQEZIPVFHCDBCX-UHFFFAOYSA-N, Benzoic acid, 3-acetyl-4-bromo-, methyl ester,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.083g/mol
Monoisotopic Mass	255.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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