AG00167H

1218789-50-4 | 3-Bromo-5-hydroxyphenylboronic acid

AG00167H

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CAS Number	1218789-50-4
Catalog Number	AG00167H(AGN-PC-0WA8A1)
Chemical Name	3-Bromo-5-hydroxyphenylboronic acid
IUPAC Name	3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI	InChI=1S/C12H16BBrO3/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7,15H,1-4H3
InChI Key	SZNZHUSGGFDSIP-UHFFFAOYSA-N
MDL Number	MFCD12546589
Molecular Formula	C12H16BBrO3
Molecular Weight	298.9686
SMILES	OC1=CC(B2OC(C)(C)C(C)(C)O2)=CC(Br)=C1
Synonyms	1218789-50-4, 3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 3-BROMO-5-HYDROXYPHENYLBORONIC ACID, PINACOL ESTER, ANW-53541, MFCD12546589, AKOS015999373, ZINC169746289, FCH2799535, OR360783, AX8230082, TC-142286, A-4682, 3-Bromo-5-hydroxyphenylboronic acid,pinacol ester, Phenol, 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, SZNZHUSGGFDSIP-UHFFFAOYSA-N, 3-BROMO-5-HYDROXYPHENYLBORONIC ACID, 3-Bromo-5-hydroxyphenylboronic acid pinacol ester,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	298.038g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	298.971g/mol
Monoisotopic Mass	298.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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