AG000VEA

1310403-98-5 | Boronic acid, B-(6-bromo-2-ethoxy-3-fluorophenyl)-

AG000VEA

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CAS Number	1310403-98-5
Catalog Number	AG000VEA(AGN-PC-0WAMS8)
Chemical Name	Boronic acid, B-(6-bromo-2-ethoxy-3-fluorophenyl)-
IUPAC Name	(6-bromo-2-ethoxy-3-fluorophenyl)boronic acid
InChI	InChI=1S/C8H9BBrFO3/c1-2-14-8-6(11)4-3-5(10)7(8)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key	UKBDAFLNQDNKIH-UHFFFAOYSA-N
MDL Number	MFCD12026721
Molecular Formula	C8H9BBrFO3
Molecular Weight	262.8687
SMILES	FC1=C(OCC)C(B(O)O)=C(Br)C=C1
Synonyms	(6-Bromo-2-ethoxy-3-fluorophenyl)boronic acid, 1310403-98-5, 2-Ethoxy-3-fluoro-6-bromophenylboronic acid, 6-Bromo-2-ethoxy-3-fluorophenylboronic acid, CTK6G0207, KS-00000P3R, MFCD12026721, AKOS015838860, ZINC169901998, AK-62369, DS-15009, TR-057611, I04-0824, I04-0825, Boronic acid, B-(6-bromo-2-ethoxy-3-fluorophenyl)-,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.981g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	262.869g/mol
Monoisotopic Mass	261.981g/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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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