AG003HNS

957062-84-9 | 2-Methyl-5-nitrophenylboronic Acid Pinacol Ester

AG003HNS

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CAS Number	957062-84-9
Catalog Number	AG003HNS(AGN-PC-0W5BBR)
Chemical Name	2-Methyl-5-nitrophenylboronic Acid Pinacol Ester
IUPAC Name	4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane
InChI	InChI=1S/C13H18BNO4/c1-9-6-7-10(15(16)17)8-11(9)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
InChI Key	LYFUUPOOXAXEEP-UHFFFAOYSA-N
MDL Number	MFCD09027081
Molecular Formula	C13H18BNO4
Molecular Weight	263.0973
SMILES	O=[N+](C1=CC=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1)[O-]
Synonyms	957062-84-9, 4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane, 2-Methyl-5-nitrophenylboronic acid pinacol ester, 2-Methyl-5-nitrophenylboronic acid, pinacol ester, 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methyl-5-nitrophenylboronate, 2-Methyl-5-nitrophenylboronic acid pinacol ester, 97%, PubChem18757, SCHEMBL1897857, CTK8B3084, DTXSID90590400, LYFUUPOOXAXEEP-UHFFFAOYSA-N, BM631, ZXBA000483, KS-00000AT5, ZX-AT021667, ANW-41748, MFCD09027081, OR3190, AKOS015950535, ZINC169743610, CM-2077, FCH2821475, MB06753, RTR-029952, AN-26084, CS-11163, SC-26163, SY007279, AB1000941, AX8162994, TL8005995, TR-029952, AM20050002, FT-0083820, FT-0602116, ST24028664, W9765, 2-Methyl-5-nitrophenylboronicAcidPinacolEster, B-3923, MFCD09027081 (97+%), 2-METHYL-5-NITROPHENYL BORIC ACID PINACOL ESTER, 2-METHYL-5-NITROPHENYLBORONIC ACID,PINACOL ESTER, 2-Methyl-5-nitrophenylboronic acid pinacol ester, AldrichCPR, 4,4,5,5-tetramethyl-2-(2-methyl-5-nitro-phenyl)-1,3,2-dioxaborolane, null, C13H18BNO4, 4,4,5,5-TETRAMETHYL-2- -1,3,2-DIOXABOROLANE,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.133g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.1g/mol
Monoisotopic Mass	263.133g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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