AG004JD3

870718-07-3 | 3-(Benzyloxy)-2,6-difluorophenylboronic acid

AG004JD3

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CAS Number	870718-07-3
Catalog Number	AG004JD3(AGN-PC-00UQKO)
Chemical Name	3-(Benzyloxy)-2,6-difluorophenylboronic acid
IUPAC Name	(2,6-difluoro-3-phenylmethoxyphenyl)boronic acid
InChI	InChI=1S/C13H11BF2O3/c15-10-6-7-11(13(16)12(10)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key	MUKMMBLTLNKOAC-UHFFFAOYSA-N
MDL Number	MFCD06200705
Molecular Formula	C13H11BF2O3
Molecular Weight	264.0324
SMILES	OB(C1=C(F)C=CC(OCC2=CC=CC=C2)=C1F)O
Synonyms	870718-07-3, 3-Benzyloxy-2,6-difluorophenylboronic acid, 3-(BENZYLOXY)-2,6-DIFLUOROPHENYLBORONIC ACID, 3-(BENZYLOXY)-2,6-DIFLUOROBENZENEBORONIC ACID, 2,6-Difluoro-5-benzyloxyphenylboronic acid, (3-Benzyloxy-2,6-difluoro-phenyl)boronic acid, (3-(benzyloxy)-2,6-difluorophenyl)boronic acid, [3-(benzyloxy)-2,6-difluorophenyl]boronic acid, ACMC-209qdg, SCHEMBL257953, CTK3I9596, DTXSID70584504, MUKMMBLTLNKOAC-UHFFFAOYSA-N, ZX-AP011699, ANW-38450, MFCD06200705, PC7428, SBB065879, AKOS015839337, ZINC169747982, AB23035, CB-1616, RL05401, RTR-027111, TRA0087427, VB10029, AK-45857, BC001240, 3-benzyloxy-2,6-difluorophenylbornic acid, AX8080467, DB-010530, TR-027111, FT-0656714, ST24041796, V1862, 2,6-Difluoro-3-(benzyloxy)phenylboronic acid, 3-(Benzyloxy)-2,6-difluorobenzeneboronicacid, B-5198, 3-(benzyloxy)-2,6-difluorobenzeneboronicacid97%, (2,6-difluoro-3-phenylmethoxyphenyl)boronic acid, 718B073, A841935, 3-(benzyloxy)-2,6-difluorobenzeneboronic acid 97%, I04-0712, J-510806, b-[2,6-difluoro-3-(phenylmethoxy)phenyl]boronic acid, [2,6-bis(fluoranyl)-3-phenylmethoxy-phenyl]boronic acid, Boronic acid,B-[2,6-difluoro-3-(phenylmethoxy)phenyl]-, 2-methoxy-4-morpholinoaniline, C13H11BF2O3,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.077g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	264.035g/mol
Monoisotopic Mass	264.077g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	49.7A^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	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number