AG00BH0J

279261-82-4 | Boronic acid, B-​(4-​ethoxy-​2-​fluorophenyl)​-

AG00BH0J

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CAS Number	279261-82-4
Catalog Number	AG00BH0J(AGN-PC-03X8NA)
Chemical Name	Boronic acid, B-​(4-​ethoxy-​2-​fluorophenyl)​-
IUPAC Name	(4-ethoxy-2-fluorophenyl)boronic acid
InChI	InChI=1S/C8H10BFO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,11-12H,2H2,1H3
InChI Key	OPBZIEMMNXUXAK-UHFFFAOYSA-N
MDL Number	MFCD08701765
Molecular Formula	C8H10BFO3
Molecular Weight	183.9726
SMILES	B(O)(O)c1c(F)cc(cc1)OCC
Synonyms	(4-Ethoxy-2-fluorophenyl)boronic acid, 279261-82-4, 4-ethoxy-2-fluorophenylboronic acid, 2-Fluoro-4-ethoxyphenylboronic acid, AKOS BRN-1165, CTK6G1495, DTXSID30629662, ANW-74329, CE-836, MFCD08701765, AKOS004114905, ZINC169747667, (4-Ethoxy-2-fluoro-phenyl)boronic acid, KS-00000J74, AK-61741, BC001180, DS-14875, DB-028855, TR-057637, CS-0038985, FT-0678855, ST24034679, X1349, Q-7794, BORONIC ACID, (4-ETHOXY-2-FLUOROPHENYL)-, I04-0781, I04-0782, C8H10BFO3, ?4-Ethoxy-2-fluorophenylboronic acid, ACN-034182,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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