AG0090F0

1073339-13-5 | 4-Chloro-2-fluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester

AG0090F0

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CAS Number	1073339-13-5
Catalog Number	AG0090F0(AGN-PC-07XUCD)
Chemical Name	4-Chloro-2-fluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
IUPAC Name	methyl 2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI	InChI=1S/C14H17BClFO4/c1-13(2)14(3,4)21-15(20-13)9-6-8(12(18)19-5)10(16)7-11(9)17/h6-7H,1-5H3
InChI Key	VRDUKQDRPFLJPG-UHFFFAOYSA-N
MDL Number	MFCD12026085
Molecular Formula	C14H17BClFO4
Molecular Weight	314.5448
SMILES	O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=C(F)C=C1Cl
Synonyms	1073339-13-5, METHYL 2-CHLORO-4-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE, 4-Chloro-2-fluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester, 4-Chloro-2-fluoro-5-(methoxycarbonyl)phenylboronic acid pinacol ester, CTK8B3453, DTXSID50675040, VRDUKQDRPFLJPG-UHFFFAOYSA-N, ANW-42548, MFCD12026085, AKOS015999642, ZINC169746599, PC48622, PS-9684, RTR-001696, AK-93974, AX8231337, TR-001696, ST24025229, A-4794, 4-Chloro-2-fluoro-5-(methoxycarbonyl)phenylboronic, J-001788, 4-Chloro-2-fluoro-5-(methoxycarbonyl)phenylboronic acid,pinacol ester,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.089g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	314.544g/mol
Monoisotopic Mass	314.089g/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-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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