AG00IJDM

957062-68-9 | 2-Ethoxy-6-fluorophenylboronic acid

AG00IJDM

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CAS Number	957062-68-9
Catalog Number	AG00IJDM(AGN-PC-00UQGB)
Chemical Name	2-Ethoxy-6-fluorophenylboronic acid
IUPAC Name	(2-ethoxy-6-fluorophenyl)boronic acid
InChI	InChI=1S/C8H10BFO3/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5,11-12H,2H2,1H3
InChI Key	HJRTVQOQSGKXOM-UHFFFAOYSA-N
MDL Number	MFCD05664322
Molecular Formula	C8H10BFO3
Molecular Weight	183.9726
SMILES	OB(C1=C(F)C=CC=C1OCC)O
Synonyms	2-Ethoxy-6-fluorophenylboronic acid, 957062-68-9, (2-ethoxy-6-fluorophenyl)boronic acid, (2-ethoxy-6-fluoro-phenyl)boronic acid, BORONIC ACID, B-(2-ETHOXY-6-FLUOROPHENYL)-, 2-Ethoxy-6-fluorophenylboronicacid, ACMC-209s2b, SCHEMBL954824, CTK3I6501, DTXSID50584406, HJRTVQOQSGKXOM-UHFFFAOYSA-N, ANW-40641, CE-257, AKOS004113964, ZINC169745180, AB22357, FCH1119758, RL06040, RTR-029937, VB10247, (2-Ethoxy-6-fluorophenyl)dihydroxyborane, AN-26083, BC001282, SC-53689, (2-ethoxy-6-fluoranyl-phenyl)boronic acid, AB0043277, AX8161610, DB-028042, TR-029937, FT-0652768, ST24027979, Z1182, B-5018, 062E689, A845404, I04-0688, J-509298, C8H10BFO3,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.071g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.973g/mol
Monoisotopic Mass	184.071g/mol
Rotatable Bond Count	3
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