AG0024TO

176672-49-4 | Boronic acid, B-[4-(1,1-dimethylethoxy)phenyl]-

AG0024TO

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CAS Number	176672-49-4
Catalog Number	AG0024TO(AGN-PC-008542)
Chemical Name	Boronic acid, B-[4-(1,1-dimethylethoxy)phenyl]-
IUPAC Name	[4-[(2-methylpropan-2-yl)oxy]phenyl]boronic acid
InChI	InChI=1S/C10H15BO3/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7,12-13H,1-3H3
InChI Key	OKHCKPPOCZWHRN-UHFFFAOYSA-N
MDL Number	MFCD03094965
Molecular Formula	C10H15BO3
Molecular Weight	194.0353
SMILES	CC(C)(C)OC1=CC=C(C=C1)B(O)O
Synonyms	176672-49-4, 4-T-BUTOXYPHENYLBORONIC ACID, 4-(tert-butoxy)phenylboronic acid, (4-(tert-Butoxy)phenyl)boronic acid, 4-tert-Butoxyphenylboronic acid, [4-(tert-butoxy)phenyl]boronic acid, Boronic acid, [4-(1,1-dimethylethoxy)phenyl]-, Boronic acid,B-[4-(1,1-dimethylethoxy)phenyl]-, PubChem1769, ACMC-209ebs, [4-[(2-methylpropan-2-yl)oxy]phenyl]boronic Acid, SCHEMBL503301, 4-tert-butoxybenzeneboronic acid, CTK4D6275, DTXSID60464346, (4-tert-butoxyphenyl)boronic acid, 4-(tertbutoxy)phenyl boronic acid, OKHCKPPOCZWHRN-UHFFFAOYSA-N, ANW-22838, MFCD03094965, AKOS004113911, ZINC169806769, AB13401, RTR-008054, TRA0014237, AK-63332, DS-15220, SY026533, 4-tert-Butoxyphenylboronic acid, AldrichCPR, TR-008054, MFCD03094965 (95%), B-2653, A812199, Boronic acid, B-[4-(1,1-dimethylethoxy)phenyl]-, I14-38004, (4-(tert-Butoxy)phenyl)boronicacid, CID11389935,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.037g/mol
Monoisotopic Mass	194.111g/mol
Rotatable Bond Count	3
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-P305+P351+P338
UN Code

Certificate of Analysis

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