AG003LG5

225916-39-2 | 4-Fluorophenylboronic acid, neopentyl ester

AG003LG5

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CAS Number	225916-39-2
Catalog Number	AG003LG5(AGN-PC-0NEJT3)
Chemical Name	4-Fluorophenylboronic acid, neopentyl ester
IUPAC Name	2-(4-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
InChI	InChI=1S/C11H14BFO2/c1-11(2)7-14-12(15-8-11)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChI Key	GWWSSPCPSWVJRZ-UHFFFAOYSA-N
MDL Number	MFCD05663850
Molecular Formula	C11H14BFO2
Molecular Weight	208.0371
SMILES	CC1(C)COB(C2=CC=C(F)C=C2)OC1
Synonyms	2-(4-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane, 225916-39-2, 4-Fluorophenylboronic acid neopentylglycol ester, AMTB971, SCHEMBL1136930, 1,3,2-Dioxaborinane, 2-(4-fluorophenyl)-5,5-dimethyl-, DTXSID90452150, GWWSSPCPSWVJRZ-UHFFFAOYSA-N, KS-000022MB, MFCD05663850, AKOS004113989, ZINC169806910, AB21949, AS-3035, RTR-010623, 4-Fluorophenylboronic acid neopentyl ester, TR-010623, K-6323, 4-Fluorophenylboronic acid neopentylglycol ester, 97%, I14-47666, 2-(4-Fluorophenyl)-5,5-dimethyl-2-bora-1,3-dioxane, C11H14BFO2, CID11020077, 4-Fluorophenylboronic acid, neopentyl ester, 2- -5,5-DIMETHYL-1,3,2-DIOXABORINANE,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.107g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.039g/mol
Monoisotopic Mass	208.107g/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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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