AG000O06

1256345-59-1 | Boronic acid, B-(4-bromo-3-methoxyphenyl)-

AG000O06

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CAS Number	1256345-59-1
Catalog Number	AG000O06(AGN-PC-0WAA3P)
Chemical Name	Boronic acid, B-(4-bromo-3-methoxyphenyl)-
IUPAC Name	(4-bromo-3-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H8BBrO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3
InChI Key	LCRYXSUMYJSZDG-UHFFFAOYSA-N
MDL Number	MFCD16036103
Molecular Formula	C7H8BBrO3
Molecular Weight	230.8516
SMILES	COC1=CC(B(O)O)=CC=C1Br
Synonyms	1256345-59-1, (4-Bromo-3-methoxyphenyl)boronic acid, 4-Bromo-3-Methoxyphenylboronic Acid, Boronic acid, B-(4-bromo-3-methoxyphenyl)-, ACMC-209avd, SCHEMBL8080504, CTK4B4479, DTXSID20681532, LCRYXSUMYJSZDG-UHFFFAOYSA-N, ANW-18359, MFCD16036103, 4-bromo-3-methoxyphenyl boronic acid, AKOS015851833, ZINC169933859, TX-012019, FT-0736082, X1809, A-4699, I04-1743, 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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number