AG00EE89

627525-96-6 | 4-Chloro-3-methoxyphenylboronic acid pinacolester

AG00EE89

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CAS Number	627525-96-6
Catalog Number	AG00EE89(AGN-PC-03MNOT)
Chemical Name	4-Chloro-3-methoxyphenylboronic acid pinacolester
IUPAC Name	2-(4-chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8H,1-5H3
InChI Key	MPAOYOWXKCYTSJ-UHFFFAOYSA-N
MDL Number	MFCD13176538
Molecular Formula	C13H18BClO3
Molecular Weight	268.5442
SMILES	CC1(C)C(C)(C)OB(C2=CC=C(Cl)C(OC)=C2)O1
Synonyms	627525-96-6, 2-(4-chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Chloro-3-methoxyphenylboronic acid pinacol ester, SCHEMBL858457, 4-Chloro-3-methoxyphenylboronic acid, pinacol ester, CTK8B6287, DTXSID30623721, MPAOYOWXKCYTSJ-UHFFFAOYSA-N, KS-00000Q1M, ANW-53218, KM0653, MFCD13176538, AKOS015960323, ZINC169746615, RL04387, AK-94510, BC000477, DS-17985, TC-141963, 4CH-011788, CS-0029526, ST24021766, 4-Chloro-3-methoxyphenylboronic acid pinacolester, A833971, J-505935, (4-CHLORO-3-METHOXYPHENYL)BORONIC ACID PINACOL ESTER, 2-(4-chloranyl-3-methoxy-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(4-chloro-3-methoxy-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, ACN-046469,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.104g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.544g/mol
Monoisotopic Mass	268.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27.7A^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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