AG000KKD

1234319-14-2 | 1,3,2-Dioxaborolane, 2-[4-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-

AG000KKD

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CAS Number	1234319-14-2
Catalog Number	AG000KKD(AGN-PC-0CEMFE)
Chemical Name	1,3,2-Dioxaborolane, 2-[4-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-
IUPAC Name	2-[4-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C13H17BF2O2/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8,11H,1-4H3
InChI Key	XOIBKPJPWFARFO-UHFFFAOYSA-N
MDL Number	MFCD16996278
Molecular Formula	C13H17BF2O2
Molecular Weight	254.0807
SMILES	CC1(C)C(C)(C)OB(C2=CC=C(C(F)F)C=C2)O1
Synonyms	1234319-14-2, 2-(4-(DIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, 1,3,2-DIOXABOROLANE, 2-[4-(DIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-, 2-[4-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, SCHEMBL252566, XOIBKPJPWFARFO-UHFFFAOYSA-N, MFCD16996278, AKOS024258197, ZINC169747323, DS-9482, MB20380, KS-000019F1, AK151378, AM805523, ST2403919, CS-0029507, (4-(DIFLUOROMETHYL)PHENYL)BORONIC ACID PINACOL ESTER, 2-(4-Difluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, ACN-046486,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.129g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.084g/mol
Monoisotopic Mass	254.129g/mol
Rotatable Bond Count	2
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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number