AG003IRC

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CAS Number	1072951-74-6
Catalog Number	AG003IRC(AGN-PC-0WA7V9)
Chemical Name	(3-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid
IUPAC Name	[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
InChI	InChI=1S/C17H21BO3/c1-12(2)16-8-7-13(3)9-17(16)21-11-14-5-4-6-15(10-14)18(19)20/h4-10,12,19-20H,11H2,1-3H3
InChI Key	AABBYGNTCONFJV-UHFFFAOYSA-N
MDL Number	MFCD22200781
Molecular Formula	C17H21BO3
Molecular Weight	284.1578
SMILES	CC1=CC=C(C(C)C)C(OCC2=CC(B(O)O)=CC=C2)=C1
Synonyms	1072951-74-6, (3-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid, 3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid, 3-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid, SCHEMBL2558651, CTK8A9150, DTXSID40584758, ANW-15700, MFCD08276820, AKOS010795578, ZINC169903671, RTR-001634, SEL14370183, OR361308, AX8281789, TR-001634, Z7081, I04-6799, (3-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}phenyl)boronic acid, C17H21BO3,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.158g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	284.162g/mol
Monoisotopic Mass	284.158g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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