AG004S9B

850623-45-9 | Potassium (4-Cbz-aminophenyl)trifluoroborate

AG004S9B

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CAS Number	850623-45-9
Catalog Number	AG004S9B(AGN-PC-0UX3WC)
Chemical Name	Potassium (4-Cbz-aminophenyl)trifluoroborate
IUPAC Name	potassium;trifluoro-[4-(phenylmethoxycarbonylamino)phenyl]boranuide
InChI	InChI=1S/C14H12BF3NO2.K/c16-15(17,18)12-6-8-13(9-7-12)19-14(20)21-10-11-4-2-1-3-5-11;/h1-9H,10H2,(H,19,20);/q-1;+1
InChI Key	ADBHDDIXRRMUNK-UHFFFAOYSA-N
MDL Number	MFCD04115743
Molecular Formula	C14H12BF3KNO2
Molecular Weight	333.1551
SMILES	F[B-](F)(C1=CC=C(NC(OCC2=CC=CC=C2)=O)C=C1)F.[K+]
Synonyms	850623-45-9, POTASSIUM (4-CBZ-AMINOPHENYL)TRIFLUOROBORATE, Potassium (4-(((benzyloxy)carbonyl)amino)phenyl)trifluoroborate, MFCD04115743, Potassium(4-cbz-aminophenyl)trifluoroborate, Potassium 4-(Cbz-amino)phenyltrifluoroborate, C14H12BF3KNO2, Potassium 4-(benzyloxycarbonylamino)phenyltrifluoroborate, CTK8B3579, DTXSID60647713, ANW-42764, AKOS015894809, AB20519, RTR-026577, TR-026577, FT-0688822, X2475, B-5318, I05-2540, potassium (4-(benzyloxycarbonylamino)phenyl)trifluoroborate, Potassium (4-{[(benzyloxy)carbonyl]amino}phenyl)(trifluoro)borate(1-), POTASSIUM TRIFLUOROBORATE, ACN-042905,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	333.055g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	333.159g/mol
Monoisotopic Mass	333.055g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H315-H335
Packing Group
Precautionary statements	P305+P351+P338-P405-P261-P280-P304+P340
UN Code

Certificate of Analysis

Lot Number