AG004O3R

851335-07-4 | 4-Borono-3-fluorobenzoic acid

AG004O3R

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CAS Number	851335-07-4
Catalog Number	AG004O3R(AGN-PC-03ZL4X)
Chemical Name	4-Borono-3-fluorobenzoic acid
IUPAC Name	4-borono-3-fluorobenzoic acid
InChI	InChI=1S/C7H6BFO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key	TVNVDRMGOOLVOX-UHFFFAOYSA-N
MDL Number	MFCD08458473
Molecular Formula	C7H6BFO4
Molecular Weight	183.9295
SMILES	OB(O)C1=C(F)C=C(C=C1)C(O)=O
Synonyms	851335-07-4, 4-borono-3-fluorobenzoic acid, 4-CARBOXY-2-FLUOROPHENYLBORONIC ACID, 4-Carboxy-2-fluorobenzeneboronic acid, 4-(dihydroxyboranyl)-3-fluorobenzoic acid, Benzoic acid, 4-borono-3-fluoro-, 4-Borono-3-fluoro-benzoic acid, MFCD08458473, 851135-07-4, ACMC-209q4r, SCHEMBL1289685, CTK5F4239, DTXSID50630896, TVNVDRMGOOLVOX-UHFFFAOYSA-N, KS-00000OE1, 4-?Borono-?3-?fluoro-benzoic acid, 4-carboxy-2-fluorobezeneboronic acid, ANW-38137, BBL102122, CC-956, SBB065903, STL555921, AKOS006346736, ZINC169744623, AM87255, LS11029, RL05270, RTR-026635, VB10131, 3-Fluoro-4-(dihydroxyboryl)benzoic acid, 4-(dihydroxyboryl)-3-fluorobenzoic acid, 4-carboxy-2-fluorobenzeneboronicacid98%, AK-48542, AT-15686, BC001231, Benzoic acid,4-borono-3-fluoro- (9CI), DS-14710, QC-10942, 4-carboxy-2-fluorobenzeneboronic acid 98%, DB-028784, TR-026635, 4-Carboxy-2-fluorobenzeneboronic acid, 97%, FT-0653339, ST24043505, V1922, 4-(dihydroxyboranyl)-3-fluoranyl-benzoic acid, B-5463, F10164, A841226, I04-0775, J-514866, 4-Carboxy-2-fluorophenylboronic Acid (contains varying amounts of Anhydride), C7H6BFO4, 4-Carboxy-2-fluorophenylboronicacid, ACN-044212, C3220,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	183.929g/mol
Monoisotopic Mass	184.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^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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