AG00II62

944392-68-1 | Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate

AG00II62

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CAS Number	944392-68-1
Catalog Number	AG00II62(AGN-PC-0WANI7)
Chemical Name	Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate
IUPAC Name	dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
InChI	InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)12-8-10(13(18)20-5)7-11(9-12)14(19)21-6/h7-9H,1-6H3
InChI Key	IGSNWXAGFXHYOG-UHFFFAOYSA-N
MDL Number	MFCD11858596
Molecular Formula	C16H21BO6
Molecular Weight	320.1453
SMILES	O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C(OC)=O)=C1
Synonyms	944392-68-1, DIMETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOPHTHALATE, 3,5-Bis(methoxycarbonyl)phenylboronic acid pinacol ester, MFCD11858596, AK165180, 3,5-Bis(methoxycarbonyl)benzeneboronic acid pinacol ester, SCHEMBL1814092, DTXSID90655144, BCP19906, AKOS005264712, ZINC169745861, BA01004, CS-W001005, DS-8940, MB10246, QC-9864, TR-008126, D5239, B90053, C-2333, Dimethyl 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)isophthalate, dimethyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic Acid Dimethyl Ester, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)isophthalic acid dimethyl ester, Dimethyl 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzenedicarboxylate, dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzenedicarboxylic Acid Dimethyl Ester, 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-BENZENEDICARBOXYLIC ACID,1,3-DIMETHYL ESTER, ACN-044138, 3,5-Bis(methoxycarbonyl)phenylboronic acid, 177735-55-6,

Complexity	435
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	320.143g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	320.148g/mol
Monoisotopic Mass	320.143g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	71.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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