AG00DKK5

479411-93-3 | 2-(3-Methoxy-5-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

AG00DKK5

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CAS Number	479411-93-3
Catalog Number	AG00DKK5(AGN-PC-0RXM1F)
Chemical Name	2-(3-Methoxy-5-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
IUPAC Name	2-[3-methoxy-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-6-9(14(16,17)18)7-11(8-10)19-5/h6-8H,1-5H3
InChI Key	YLEULUGDUPXKBN-UHFFFAOYSA-N
MDL Number	MFCD11846463
Molecular Formula	C14H18BF3O3
Molecular Weight	302.0971
SMILES	CC1(C)C(C)(C)OB(C2=CC(C(F)(F)F)=CC(OC)=C2)O1
Synonyms	479411-93-3, 2-(3-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, 3-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER, 2-(3-methoxy-5-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, SCHEMBL440553, YLEULUGDUPXKBN-UHFFFAOYSA-N, KS-00000T9I, MFCD11846463, AKOS025293607, ZINC169794726, AK186661, DS-10085, PC412515, CS-0029528, K-9156, (3-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID PINACOL ESTER, 2-[3-(Trifluoromethyl)-5-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(3-Methoxy-5-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, AldrichCPR, 3-Methoxy-5-trifluoromethylphenylboronic acid,pinacol ester,

Complexity	368
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.13g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	302.1g/mol
Monoisotopic Mass	302.13g/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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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