AG003J33

870717-99-0 | (3-Bromo-2-methoxy-5-methylphenyl)boronic acid

AG003J33

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CAS Number	870717-99-0
Catalog Number	AG003J33(AGN-PC-0L70DJ)
Chemical Name	(3-Bromo-2-methoxy-5-methylphenyl)boronic acid
IUPAC Name	(3-bromo-2-methoxy-5-methylphenyl)boronic acid
InChI	InChI=1S/C8H10BBrO3/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4,11-12H,1-2H3
InChI Key	WHQCYDMSPACJBE-UHFFFAOYSA-N
MDL Number	MFCD04974110
Molecular Formula	C8H10BBrO3
Molecular Weight	244.8782
SMILES	CC1=CC(Br)=C(OC)C(B(O)O)=C1
Synonyms	870717-99-0, (3-bromo-2-methoxy-5-methylphenyl)boronic acid, 3-Bromo-5-methyl-2-methoxyphenylboronic acid, 3-Bromo-2-methoxy-5-methylphenylboronic acid, ACMC-209qd8, AC1N5IC4, SCHEMBL3316598, CTK5F7711, DTXSID30400670, ANW-38442, MFCD04974110, AKOS015834039, ZINC169748158, AB21477, FCH1323672, RTR-027104, BC002003, BP-11414, OR360282, AX8280853, ST24034315, X2540, A-4722, I04-6185, Boronic acid,B-(3-bromo-2-methoxy-5-methylphenyl)-, C8H10BBrO3, CID4195533, (3-bromo-2-methoxy-5-methyl-phenyl)boronic Acid,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.991g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.879g/mol
Monoisotopic Mass	243.991g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number