AG005B1B

765948-78-5 | 4-(4,4,5,5-Tetramethyl-1,3,2- dioxaborolan-2-yl)isoindolin-1-one

AG005B1B

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CAS Number	765948-78-5
Catalog Number	AG005B1B(AGN-PC-03HJ8Q)
Chemical Name	4-(4,4,5,5-Tetramethyl-1,3,2- dioxaborolan-2-yl)isoindolin-1-one
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
InChI	InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)11-7-5-6-9-10(11)8-16-12(9)17/h5-7H,8H2,1-4H3,(H,16,17)
InChI Key	CXNFLUANJNYFBF-UHFFFAOYSA-N
MDL Number	MFCD11617913
Molecular Formula	C14H18BNO3
Molecular Weight	259.1086
SMILES	CC1(C)OB(OC1(C)C)C1=C2CNC(=O)C2=CC=C1
Synonyms	765948-78-5, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ONE, 2,3-DIHYDRO-1H-ISOINDOL-1-ONE-4-BORONIC ACID PINACOL ESTER, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindol-1-one, (1-OXOISOINDOLIN-4-YL)BORONIC ACID PINACOL ESTER, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone, MFCD11617913, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one, 4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-2,3-DIHYDRO-ISOINDOL-1-ONE, PubChem20177, AC1Q2CSL, 1-Isoindolinone-4-boronic acid pinacol ester, SCHEMBL1335533, CTK5E3164, DTXSID70619880, CXNFLUANJNYFBF-UHFFFAOYSA-N, BCP26419, ZX-RL002013, 1929AC, CI-527, AKOS015901463, ZINC169809855, ACN-000147, FCH2839631, PB20614, QC-2457, RL04915, 1H-Isoindol-1-one, 2,3-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, AK-40746, AN-27329, AS-50818, BC000764, BC653194, OR305266, AB0049423, AX8164779, 4CH-004657, A9706, AM20120456, CS-0051135, Q-3761, 1H-Isoindol-1-one-4-boronic acid pinacol ester, A838759, J-513438, I14-14073, (1-Oxo-2,3-dihydro-1H-isoindol-4-yl)boronic acid, pinacol ester, 14-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one, 4-(4,4,5,5-Tetramethyl-1,3,2- dioxaborolan-2-yl)isoindolin-1-one, 1H-Isoindol-1-one,2,3-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindol-1-one, C14H18BNO3, 2,3-Dihydro-1H-isoindol-1-one-4-boronicacidpinacolester,

Complexity	380
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.138g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.112g/mol
Monoisotopic Mass	259.138g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number