AG0010BJ

1321613-00-6 | Benzoic acid, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

AG0010BJ

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CAS Number	1321613-00-6
Catalog Number	AG0010BJ(AGN-PC-0WAY60)
Chemical Name	Benzoic acid, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
IUPAC Name	methyl 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI	InChI=1S/C14H17BF2O4/c1-13(2)14(3,4)21-15(20-13)8-6-9(16)11(10(17)7-8)12(18)19-5/h6-7H,1-5H3
InChI Key	DLAZQBFMFDOBGT-UHFFFAOYSA-N
MDL Number	MFCD17011994
Molecular Formula	C14H17BF2O4
Molecular Weight	298.0902
SMILES	O=C(OC)C1=C(F)C=C(B2OC(C)(C)C(C)(C)O2)C=C1F
Synonyms	1321613-00-6, Methyl 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, 3,5-Difluoro-4-(methoxycarbonyl)phenylboronic acid pinacol ester, 4-(Methoxycarbonyl)-3,5-difluorophenylboronic acid pinacol ester, SCHEMBL515152, KS-000022QB, MFCD17011994, AKOS022186948, ZINC170027379, AS-3251, AX8284253, Q-7963, methyl 2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, Benzoic acid, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester,

Complexity	388
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	298.119g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	298.093g/mol
Monoisotopic Mass	298.119g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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