AG003V7K

7359-58-2 | Boric acid tris(4-chlorophenyl) ester

AG003V7K

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CAS Number	7359-58-2
Catalog Number	AG003V7K(AGN-PC-0U3E5U)
Chemical Name	Boric acid tris(4-chlorophenyl) ester
IUPAC Name	tris(4-chlorophenyl) borate
InChI	InChI=1S/C18H12BCl3O3/c20-13-1-7-16(8-2-13)23-19(24-17-9-3-14(21)4-10-17)25-18-11-5-15(22)6-12-18/h1-12H
InChI Key	JOAZIIBFQMIXJM-UHFFFAOYSA-N
MDL Number	MFCD00191614
Molecular Formula	C18H12BCl3O3
Molecular Weight	393.4561
SMILES	ClC1=CC=C(OB(OC2=CC=C(Cl)C=C2)OC2=CC=C(Cl)C=C2)C=C1
Synonyms	Tris(4-chlorophenyl) borate, 7359-58-2, Boric Acid Tris(4-chlorophenyl) Ester, chlorophenylborate, AC1LCNNA, ACMC-209orh, Tris(p-chlorophenyl) borate, SCHEMBL1944959, Tris(4-chlorophenyl) borate #, CTK2H5520, DTXSID90348261, JOAZIIBFQMIXJM-UHFFFAOYSA-N, ANW-36363, MFCD00191614, AKOS015833587, ZINC195797551, AK166997, TR-023870, CID633786, B1644,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	391.995g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	393.451g/mol
Monoisotopic Mass	391.995g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	27.7A^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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