AG0088DC

89694-44-0 | 2-Bromo-5-methoxybenzene boronic acid

AG0088DC

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CAS Number	89694-44-0
Catalog Number	AG0088DC(AGN-PC-0VPG4N)
Chemical Name	2-Bromo-5-methoxybenzene boronic acid
IUPAC Name	(2-bromo-5-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H8BBrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChI Key	BJQKEDXKQVNQPR-UHFFFAOYSA-N
MDL Number	MFCD06659859
Molecular Formula	C7H8BBrO3
Molecular Weight	230.8516
SMILES	B(O)(O)c1cc(OC)ccc1Br
Synonyms	89694-44-0, 2-BROMO-5-METHOXYPHENYLBORONIC ACID, 2-Bromo-5-methoxybenzene boronic acid, (2-bromo-5-methoxyphenyl)boronic acid, MFCD06659859, (2-Bromo-5-methoxy)benzeneboronic acid, AK-45667, ACMC-209r2f, AMTB841, SCHEMBL645367, CTK5G3396, DTXSID70649526, BJQKEDXKQVNQPR-UHFFFAOYSA-N, KS-000019DR, ZX-AT003112, 2-Bromo-5-methoxyphenylboranic acid, ANW-39349, OR1188, AKOS015835195, ZINC169745430, AB26490, AS-2888, CB-3614, FCH1323668, 2-BROMO-5-METHOXYPHENYLBORONICACID, BC001371, Boronic acid,B-(2-bromo-5-methoxyphenyl)-, DB-000455, TR-028152, CS-0038152, FT-0717757, ST24040162, Z1036, I01-9087, C7H8BBrNO3, C7H8BBrO3, 2-Bromo-5-methoxybenzeneboronic acid, A-4696,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.975g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.852g/mol
Monoisotopic Mass	229.975g/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

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