AG00044Z

1012868-70-0 | Borate(1-), trifluoro(2-fluoro-5-formylphenyl)-, potassium (1:1), (T-4)-

AG00044Z

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CAS Number	1012868-70-0
Catalog Number	AG00044Z
Chemical Name	Borate(1-), trifluoro(2-fluoro-5-formylphenyl)-, potassium (1:1), (T-4)-
IUPAC Name	potassium;trifluoro-(2-fluoro-5-formylphenyl)boranuide
InChI	InChI=1S/C7H4BF4O.K/c9-7-2-1-5(4-13)3-6(7)8(10,11)12;/h1-4H;/q-1;+1
InChI Key	HCTPXGYDPRWOOU-UHFFFAOYSA-N
MDL Number	MFCD09993332
Molecular Formula	C7H4BF4KO
Molecular Weight	230.0090
SMILES	O=CC1=CC=C(F)C([B-](F)(F)F)=C1.[K+]
Synonyms	POTASSIUM 2-FLUORO-5-FORMYLPHENYLTRIFLUOROBORATE, 1012868-70-0, Potassium (2-fluoro-5-formylphenyl)trifluoroborate, Potassium trifluoro(2-fluoro-5-formylphenyl)borate, MLS002705541, CTK8F0445, DTXSID50647409, MFCD09993332, AKOS027270127, FCH1397055, PC53342, PS-9755, SMR001572170, RT-017523, C-2135, Potassium trifluoro(2-fluoro-5-formylphenyl)borate(1-),

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.993g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.01g/mol
Monoisotopic Mass	229.993g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^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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