AG00947I

1030832-75-7 | 4-CHLORO-2-METHYLPHENYLBORONIC ACID PINACOL ESTER

AG00947I

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CAS Number	1030832-75-7
Catalog Number	AG00947I(AGN-PC-0WAA88)
Chemical Name	4-CHLORO-2-METHYLPHENYLBORONIC ACID PINACOL ESTER
IUPAC Name	2-(4-chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C13H18BClO2/c1-9-8-10(15)6-7-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3
InChI Key	ZIJGXUGXNRWECN-UHFFFAOYSA-N
MDL Number	MFCD18729895
Molecular Formula	C13H18BClO2
Molecular Weight	252.5448
SMILES	CC1(C)C(C)(C)OB(C2=CC=C(Cl)C=C2C)O1
Synonyms	1030832-75-7, 2-(4-chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Chloro-2-methylphenylboronic acid pinacol ester, SCHEMBL13285724, KS-00000TBN, ZIJGXUGXNRWECN-UHFFFAOYSA-N, MFCD18729895, AKOS017550145, ZINC169955821, AK195167, DS-10441, B-8356, 2-(4-CHLORO-2-METHYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE??, 4-chloro-2-methylphenylboronic acid, pinacol ester,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.109g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.545g/mol
Monoisotopic Mass	252.109g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	18.5A^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

Lot Number