AG003QBZ

110543-98-1 | ETHYL5-ACETOXY-6-BROMO-2-(BROMOMETHYL)-1-METHYLINDOLE-3-.

AG003QBZ

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CAS Number	110543-98-1
Catalog Number	AG003QBZ(AGN-PC-0JNHUU)
Chemical Name	ETHYL5-ACETOXY-6-BROMO-2-(BROMOMETHYL)-1-METHYLINDOLE-3-.
EC Number	686-772-5
IUPAC Name	ethyl 5-acetyloxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate
InChI	InChI=1S/C15H15Br2NO4/c1-4-21-15(20)14-9-5-13(22-8(2)19)10(17)6-11(9)18(3)12(14)7-16/h5-6H,4,7H2,1-3H3
InChI Key	MESMQGKAVXOGHJ-UHFFFAOYSA-N
MDL Number	MFCD00407019
Molecular Formula	C15H15Br2NO4
Molecular Weight	433.0919
SMILES	O=C(C1=C(CBr)N(C)C2=C1C=C(OC(C)=O)C(Br)=C2)OCC
Synonyms	110543-98-1, Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate, Ethyl 5-Acetoxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate, C15H15Br2NO4, ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate, 1H-INDOLE-3-CARBOXYLIC ACID, 5-(ACETYLOXY)-6-BROMO-2-(BROMOMETHYL)-1-METHYL-, ETHYL ESTER, AK-43569, bromindole, 6-bromo-2-(bromomethyl)-3-(ethoxycarbonyl)-1-methylindol-5-yl acetate, BAS 01041723, ACMC-209xlq, AC1L4EGN, ChemDiv1_011736, AC1Q60XJ, SCHEMBL9585968, CTK0I2743, HMS620F10, KS-00000BMC, DTXSID30149294, MESMQGKAVXOGHJ-UHFFFAOYSA-N, ZINC847306, ACT06259, ANW-47820, BBL003315, MFCD00407019, SBB039853, STK281838, AKOS000271428, MCULE-3838769080, TRA0081029, AJ-24040, AN-33594, BC005073, BR-43569, CJ-04431, DS-14198, OR350162, ST001798, SY016502, AB0034748, AX8211113, DB-060007, RT-003754, 4CH-010256, EU-0052337, FT-0688151, ST24030635, TL80090955, X8949, S-7134, MFCD00407019 (97+%), 543E981, SR-01000321348, SR-01000321348-1, A2186/0091934, ETHYL5-ACETOXY-6-BROMO-2-(BROMOMETHYL)-1-METHYLINDOLE-3-., Ethyl5-Acetoxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate, ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-indole-3-carboxylate, ethyl 5-acetoxy-6-bromo-2-bromomethyl-1-methyl-1 h -indole-3-carboxylate, ethyl 5-acetyloxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate, Ethyl1-Methyl-2-bromomethyl-5-acetoxy-6-bromo-1H-indole-3-carboxylate, 5-Acetoxy-6-bromo-2-bromomethyl-1-methyl-1H-indole-3-carboxylic acid, ethyl ester, AR-1I9392, CID184226, Ethyl5-acetyloxy-6-bromo-2-bromomethyl-1-methylindole-3- Carboxylate, 12125-58-5,

Complexity	434
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	432.935g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	433.096g/mol
Monoisotopic Mass	430.937g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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