AG004J06

874289-56-2 | 3-Borono-4-fluorobenzohydrazide

AG004J06

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CAS Number	874289-56-2
Catalog Number	AG004J06(AGN-PC-0VDJGM)
Chemical Name	3-Borono-4-fluorobenzohydrazide
IUPAC Name	[2-fluoro-5-(hydrazinecarbonyl)phenyl]boronic acid
InChI	InChI=1S/C7H8BFN2O3/c9-6-2-1-4(7(12)11-10)3-5(6)8(13)14/h1-3,13-14H,10H2,(H,11,12)
InChI Key	MAVMVAKNYGFECD-UHFFFAOYSA-N
MDL Number	MFCD08436072
Molecular Formula	C7H8BFN2O3
Molecular Weight	197.9594
SMILES	O=C(NN)C1=CC=C(F)C(B(O)O)=C1
Synonyms	3-Borono-4-fluorobenzohydrazide, 874289-56-2, 2-Fluoro-5-(hydrazinocarbonyl)benzeneboronic acid, [2-fluoro-5-(hydrazinecarbonyl)phenyl]boronic acid, ACMC-209qmv, CTK5F8432, DTXSID90660192, ZX-AP006837, ANW-38789, FCH921613, MFCD08436072, PC3561, SBB092232, AKOS006346502, ZINC169745084, RTR-027448, TR-027448, V8475, A-3894, 2-fluoro-5-(hydrazinecarbonyl)phenylboronic acid, 2-Fluoro-5-(hydrazinocarbonyl)benzeneboronic aci, A842203, [5-(aminocarbamoyl)-2-fluoranyl-phenyl]boronic acid, Benzoic acid,3-borono-4-fluoro-, 1-hydrazide (9CI), I01-16300, C7H8BFN2O3, 2-FLUORO-5- BENZENEBORONICACID, ACN-042737,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.061g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	197.96g/mol
Monoisotopic Mass	198.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	95.6A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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