AG000ESP

1146-99-2 | 1H-Indene-1,3(2H)-dione, 2-(4-chlorophenyl)-

AG000ESP

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CAS Number	1146-99-2
Catalog Number	AG000ESP(AGN-PC-0JL9YS)
Chemical Name	1H-Indene-1,3(2H)-dione, 2-(4-chlorophenyl)-
EC Number	214-553-2
IUPAC Name	2-(4-chlorophenyl)indene-1,3-dione
InChI	InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChI Key	NJDUWAXIURWWLN-UHFFFAOYSA-N
MDL Number	MFCD00239203
Molecular Formula	C15H9ClO2
Molecular Weight	256.6838
NSC Number	758878
SMILES	C1(=O)C2=C(C=CC=C2)C(=O)C1C1=CC=C(Cl)C=C1
UNII	541C7WS64R
Synonyms	chlorphenindone, chlorphenylindandione, clorindione, Clorindione, Chlorindione, 1146-99-2, Chlophenadione, Indaliton, Chlorindionum, Chlor-athrombon, 2-(4-CHLOROPHENYL)INDANE-1,3-DIONE, 2-(4-Chlorophenyl)-1H-indene-1,3(2H)-dione, Clorindione [INN:BAN], Clorindionum [INN-Latin], Clorindiona [INN-Spanish], UNII-541C7WS64R, 1,3-Indandione, 2-(p-chlorophenyl)-, 2-(p-Chlorophenyl)-1,3-indandione, 2-(p-Chlorophenyl)indan-1,3-dione, EINECS 214-553-2, 2-(4-Chlorophenyl)indan-1,3-dione, 2-(4-chlorophenyl)indene-1,3-dione, G 25766, G-25766, BRN 2052412, M.G. 2552, CHEMBL278519, 2-(4-Chlorofenil)-1,3-indandione [Italian], 541C7WS64R, MFCD00239203, NCGC00160557-01, C15H9ClO2, chlorphenylindandione, Clorindiona, Clorindionum, SMR000718655, CHLORPHENINDIONE, CI-PID, chlophenindione, Clorindione (INN), 2-(4-Chlorofenil)-1,3-indandione, MG 2552, ACMC-1BTVD, AC1L2EZS, Maybridge1_006726, AC1Q3IZ3, AC1Q3NN2, DSSTox_CID_26228, DSSTox_RID_81455, DSSTox_GSID_46228, Oprea1_416030, SCHEMBL43305, 1H-Indene-1,3(2H)-dione, 2-(4-chlorophenyl)-, MLS001249425, MLS001249496, MLS006011653, DTXSID0046228, CTK8C6152, HMS560J16, CHEBI:135057, HMS2980P03, HMS3264O05, Pharmakon1600-01504507, HY-B0918, ZX-AT010549, Tox21_111897, BDBM50280162, NSC758878, OR0282, AKOS001483191, ZINC100003913, CCG-103156, MCULE-7816563338, NSC-758878, 2-(4-Chloro-phenyl)-indan-1,3-dione, KS-00001F96, LS-81144, CAS-1146-99-2, AX8062231, TC-171693, 2-(4-Chlorophenyl)-1,3-indanedione, 97%, ST50407505, D07135, AB00871292_07, SR-01000802967, SR-01000802967-2, BRD-K61802864-001-04-7, 2-(4-chlorophenyl)-2,3-dihydro-1H-indene-1,3-dione, 2-(4-chlorophenyl)-2-hydrocyclopenta[1,2-a]benzene-1,3-dione, Cumachlor, chlorphenindone, chlorathrombon, chlorindion, chlorphenadione, Clorindione [BAN:INN], C15-H9-Cl-O2, CID70846, 2-(4-Chlorophenyl)-1,3-indanedione, CS-4387, 4-07-00-02571 (Beilstein Handbook Reference), C004665,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.029g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.685g/mol
Monoisotopic Mass	256.029g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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