AG0036DO

849062-12-0 | (3-Bromo-5-methoxyphenyl)boronic acid

AG0036DO

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CAS Number	849062-12-0
Catalog Number	AG0036DO(AGN-PC-00UQQ7)
Chemical Name	(3-Bromo-5-methoxyphenyl)boronic acid
IUPAC Name	(3-bromo-5-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H8BBrO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
InChI Key	WTSXKEODVUFEMR-UHFFFAOYSA-N
MDL Number	MFCD07369759
Molecular Formula	C7H8BBrO3
Molecular Weight	230.8516
SMILES	BrC=1C=C(C=C(C1)OC)B(O)O
Synonyms	849062-12-0, 3-Bromo-5-methoxyphenylboronic acid, (3-Bromo-5-methoxyphenyl)boronic acid, 3-Bromo-5-methoxybenzeneboronic acid, 3-BROMO-5-METHOXY-PHENYLBORONIC ACID, (3-Bromo-5-methoxy-phenyl)boronic acid, 3-Bromo-5-methoxybenzeneboronicacid, 3-Borono-5-bromoanisole, ACMC-209py3, SCHEMBL10268964, CTK5F3455, DTXSID80584656, WTSXKEODVUFEMR-UHFFFAOYSA-N, ZX-AT018722, ANW-37897, MFCD07369759, OR3503, AKOS015834232, ZINC169748119, AB32238, AM87237, CB-4082, FCH1323710, LS10995, RTR-026303, BC001805, BP-12153, AB0030138, AX8085214, Boronic acid,B-(3-bromo-5-methoxyphenyl)-, CS-0046216, ST24034330, X2326, 3-Bromo-5-methoxyphenylboronic acid, >=95%, A-4697, I04-1784, C7H8BBrO3,

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	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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