AG00D9RA

445303-09-3 | 4-Chloro-3-trifluoromethylphenylboronic acid, pinacol ester

AG00D9RA

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CAS Number	445303-09-3
Catalog Number	AG00D9RA(AGN-PC-01LR11)
Chemical Name	4-Chloro-3-trifluoromethylphenylboronic acid, pinacol ester
IUPAC Name	2-[4-chloro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C13H15BClF3O2/c1-11(2)12(3,4)20-14(19-11)8-5-6-10(15)9(7-8)13(16,17)18/h5-7H,1-4H3
InChI Key	VBNMWVUQPRYIIM-UHFFFAOYSA-N
MDL Number	MFCD06657823
Molecular Formula	C13H15BClF3O2
Molecular Weight	306.5162
SMILES	CC1(C)OB(OC1(C)C)C1=CC(=C(Cl)C=C1)C(F)(F)F
Synonyms	445303-09-3, 2-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, 4-Chloro-3-(trifluoromethyl)phenylboronic acid pinacol ester, 4-CHLORO-3-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER, 2-[4-Chloro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Chloro-3-trifluoromethylphenylboronic acid pinacol ester, 2-(4-chloro-3-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, SCHEMBL4434638, CTK8B3347, DTXSID20590377, VBNMWVUQPRYIIM-UHFFFAOYSA-N, BM370, ANW-42351, MFCD06657823, AKOS015960100, ZINC169807594, AB25698, RTR-017111, TR-017111, FT-0721136, B-3294, 4 - Chloro - 3 - trifluoromethylphenylboronic acid pinacol ester, 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzotrifluoride, 4-Chloro-3-trifluoromethylphenylboronic acid pinacol ester, AldrichCPR, 1,3,2-DIOXABOROLANE, 2-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-, 2-(4-chloro-3-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2] dioxaborolane, 4-CHLORO-3-TRIFLUOROMETHYLPHENYLBORONICACID,PINACOLESTER,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.081g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	306.516g/mol
Monoisotopic Mass	306.081g/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

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