AG002ZKC

3030-06-6 | Ethanone, 1-[3-(acetyloxy)-5-bromo-4-chloro-1H-indol-1-yl]-

AG002ZKC

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CAS Number	3030-06-6
Catalog Number	AG002ZKC(AGN-PC-0R5NJT)
Chemical Name	Ethanone, 1-[3-(acetyloxy)-5-bromo-4-chloro-1H-indol-1-yl]-
EC Number	221-200-6
IUPAC Name	(1-acetyl-5-bromo-4-chloroindol-3-yl) acetate
InChI	InChI=1S/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H3
InChI Key	DSHQTSIXXYZXGR-UHFFFAOYSA-N
MDL Number	MFCD00040632
Molecular Formula	C12H9BrClNO3
Molecular Weight	330.5618
SMILES	CC(OC1=CN(C(C)=O)C2=C1C(Cl)=C(Br)C=C2)=O
Synonyms	3030-06-6, 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate, 3-acetoxy-1-acetyl-5-bromo-4-chloroindole, 5-Bromo-4-chloroindoxyl 1,3-diacetate, 5-Bromo-4-chloroindoxyl-1,3-diacetate, 1H-Indol-3-ol, 1-acetyl-5-bromo-4-chloro-, acetate (ester), (1-acetyl-5-bromo-4-chloroindol-3-yl) acetate, W-200576, 5-Bromo-4-chloro-indoxyl-1,3-diacetate;Acetic acid-(1-acetyl-5-bromo-4-chloro-1H-indol-3-yl) ester, ACMC-1AG9T, AC1L2QV2, AC1Q26AO, ARK082, CTK4G4823, ZINC56442, DTXSID80184392, DSHQTSIXXYZXGR-UHFFFAOYSA-N, ZX-AFC003209, CS-M1903, KS-00001E0B, EINECS 221-200-6, ANW-73715, AKOS015898220, ACN-026889, GS-3363, MCULE-6313326880, RD-0086, TRA0030922, 5-Bromo-4-chloroindolyl 1,3-diacetate, 5-Bromo-4-chloro-indoxyl-1,3-diacetate, AJ-09262, AK-29114, AN-20882, CC-03887, P273, SC-72352, ZB001645, 5-Bromo-4-chloro-3-indolyl 1,3-diacetate, 5-Bromo-4-chloro-3-indoxyl 1,3-diacetate, AX8102967, TC-162460, FT-0634611, ST50319822, 1-Acetyl-5-bromo-4-chloro-3-indolyl Acetate, 1-acetyl-5-bromo-4-chloroindol-3-yl acetate, N-Acetyl-5-bromo-4-chloroindol-3-yl acetate, 5-Bromo-4-chloroindoxyl 1,3-diacetate, 98%, A22338, K-0033, (1-acetyl-5-bromo-4-chloro-indol-3-yl) acetate, 030B066, 5 - Bromo - 4 - chloroindoxyl 1,3 - diacetate, C-24431, 1-Acetyl-5-bromo-4-chloro-1H-indol-3-ol acetate, I10-1585, 1H-Indol-3-ol, 1-acetyl-5-bromo-4-chloro-, acetate, Acetic acid 1-acetyl-5-bromo-4-chloro-1H-indol-3-yl ester, Ethanone,1-[3-(acetyloxy)-5-bromo-4-chloro-1H-indol-1-yl]-, Ethanone, 1-[3-(acetyloxy)-5-bromo-4-chloro-1H-indol-1-yl]-, InChI=1/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H, Methylene iodide, 1-Piperidineacetonitrile, C12H9BrClNO3, CID76416, AR-1C1332, MFCD00023733, MFCD00040632, ZINC00056442, 1-Acetyl-5-bromo-4-chloro-1H-indol-3-ylacetate, A2923, 3255-05-8,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	328.945g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.562g/mol
Monoisotopic Mass	328.945g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	48.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number