AG00389B

103858-53-3 | Ethyl 6-bromoindole-2-carboxylate

AG00389B

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CAS Number	103858-53-3
Catalog Number	AG00389B(AGN-PC-0LW574)
Chemical Name	Ethyl 6-bromoindole-2-carboxylate
IUPAC Name	ethyl 6-bromo-1H-indole-2-carboxylate
InChI	InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
InChI Key	FVMZWWFKRMBNSZ-UHFFFAOYSA-N
MDL Number	MFCD03094942
Molecular Formula	C11H10BrNO2
Molecular Weight	268.1066
SMILES	CCOC(=O)c1cc2c([nH]1)cc(cc2)Br
Synonyms	103858-53-3, ETHYL 6-BROMOINDOLE-2-CARBOXYLATE, ethyl 6-bromo-1H-indole-2-carboxylate, 6-Bromoindole-2-carboxylic acid ethyl ester, 6-bromo-1H-indole-2-carboxylic acid ethyl ester, 1H-Indole-2-carboxylic acid, 6-bromo-, ethyl ester, 6-Bromo-2-Indolecarboxylic ethyl ester, 6-Bromo-2-(ethoxylcarbonyl)-1H-indole, 6-BROMO-2-CARBETHOXYINDOLE, 6-BROMO-2-CARBOETHOXYINDOLE, MFCD03094942, 6-Bromo-2- carboethoxyindole, 1H-Indole-2-carboxylicacid, 6-bromo-, ethyl ester, ACMC-209znl, AC1Q349W, SCHEMBL3275836, CTK4A2445, KS-00000IMO, DTXSID30426557, FVMZWWFKRMBNSZ-UHFFFAOYSA-N, ALBB-019698, ZINC2383949, ANW-50479, CE-165, AKOS004912416, AS06045, CM13590, CS-W005383, DC-0707, MCULE-5279860443, QC-8057, RP06445, RTR-000894, VI30057, AC-22705, AJ-34974, AK-27257, AN-34067, BC005180, BC225102, BR-27257, CJ-08190, ethyl 6-bromanyl-1H-indole-2-carboxylate, SC-35611, SY004488, AB0002219, AB1005663, ST2413053, TL8000166, TR-000894, 4CH-003292, FT-0648941, 6-bromo-indole-2-carboxylic acid ethyl ester, EN300-60688, MFCD03094942 (95%), S-3217, 858E533, A800824, AR-437/43285096, 6-BROMOINDOLE-2-CARBOXYLIC ACID METHYL ESTER, I10-0536, Z307697180, ZINC02383949, CID7009496, B-8725, Ethyl 6-bromoindole-2-carboxylate, 97% - 500mg 500mg,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.989g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.11g/mol
Monoisotopic Mass	266.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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