AG00IKB3

SDS

COA

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CAS Number	99548-57-9
Catalog Number	AG00IKB3(AGN-PC-0KKJ35)
Chemical Name	4-Bromo-3-methoxybenzeneacetic acid
IUPAC Name	2-(4-bromo-3-methoxyphenyl)acetic acid
InChI	InChI=1S/C9H9BrO3/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4H,5H2,1H3,(H,11,12)
InChI Key	XAELQZLYEDCMJI-UHFFFAOYSA-N
MDL Number	MFCD01846086
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	COc1cc(ccc1Br)CC(=O)O
Synonyms	2-(4-bromo-3-methoxyphenyl)acetic acid, 99548-57-9, (4-Bromo-3-methoxyphenyl)acetic acid, Benzeneacetic acid, 4-bromo-3-methoxy-, AC1MBMCE, SCHEMBL14894169, XAELQZLYEDCMJI-UHFFFAOYSA-N, ZINC3848136, AKOS004907985, DA-00052, 4-BROMO-3-METHOXYPHENYLACETIC ACID, FT-0704598, CID2752994, 2-(4-bromo-3-methoxy-phenyl)acetic Acid,

Complexity	184
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	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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