AG000QX7

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CAS Number	126062-63-3
Catalog Number	AG000QX7(AGN-PC-001WTL)
Chemical Name	Benzoic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(bromomethyl)benzoate
InChI	InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3
InChI Key	FWVVBSNKXPFYMT-UHFFFAOYSA-N
MDL Number	MFCD16620833
Molecular Formula	C12H15BrO2
Molecular Weight	271.1503
SMILES	O=C(OC(C)(C)C)C1=CC=CC(CBr)=C1
Synonyms	tert-butyl 3-(bromomethyl)benzoate, 126062-63-3, 3-Bromomethyl-benzoic Acid Tert-Butyl Ester, Benzoic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester, ACMC-20mrt0, SCHEMBL127411, CTK0F6741, DTXSID50561954, FWVVBSNKXPFYMT-UHFFFAOYSA-N, tert.-butyl 3-(bromomethyl)benzoate, 4564AJ, MFCD16620833, ZINC34327260, AKOS024258333, AJ-87974, AS-30377, SC-51946, tert-butyl-3-(bromomethyl)benzenecarboxylate, Z-5219, 3-Bromomethyl-benzoic acid tert-butyl ester, AldrichCPR, C12H15BrO2, tert-butyl 3-bromomethylbenzoate,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.026g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.154g/mol
Monoisotopic Mass	270.026g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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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