AG0095O4

1045795-70-7 | methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate

AG0095O4

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CAS Number	1045795-70-7
Catalog Number	AG0095O4(AGN-PC-09T7QC)
Chemical Name	methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate
IUPAC Name	methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate
InChI	InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)9-6-7-10(12(20)21-5)11(8-9)15(17,18)19/h6-8H,1-5H3
InChI Key	FKZBIAASSSCFDM-UHFFFAOYSA-N
MDL Number	MFCD19105387
Molecular Formula	C15H18BF3O4
Molecular Weight	330.1072
SMILES	O=C(OC)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1C(F)(F)F
Synonyms	1045795-70-7, METHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)BENZOATE, 4-Methoxycarbonyl-3-(trifluoromethyl)phenylboronic acid pinacol ester, AK164353, SCHEMBL516745, MFCD19105387, AKOS025146469, ZINC198542956, DS-8552, BC001481, AX8295054, ST24047873, Q-7953, methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-BENZOIC ACID, METHYL ESTER, BENZOIC ACID, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-, METHYL ESTER,

Complexity	448
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	330.125g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.11g/mol
Monoisotopic Mass	330.125g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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