AG008RPT

105191-13-7 | Ethyl 5-cyanoindole-2-carboxylate

AG008RPT

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CAS Number	105191-13-7
Catalog Number	AG008RPT(AGN-PC-0LFZ4Q)
Chemical Name	Ethyl 5-cyanoindole-2-carboxylate
IUPAC Name	ethyl 5-cyano-1H-indole-2-carboxylate
InChI	InChI=1S/C12H10N2O2/c1-2-16-12(15)11-6-9-5-8(7-13)3-4-10(9)14-11/h3-6,14H,2H2,1H3
InChI Key	VZSOXWAHGVEQOT-UHFFFAOYSA-N
MDL Number	MFCD04966999
Molecular Formula	C12H10N2O2
Molecular Weight	214.2200
SMILES	O=C(C(N1)=CC2=C1C=CC(C#N)=C2)OCC
Synonyms	Ethyl 5-cyanoindole-2-carboxylate, 105191-13-7, ethyl 5-cyano-1H-indole-2-carboxylate, 5-Cyano-1H-indole-2-carboxylic acid ethyl ester, 5-CYANOINDOLE-2-CARBOXYLIC ACID ETHYL ESTER, 1H-Indole-2-carboxylic acid, 5-cyano-, ethyl ester, AK-47708, C-8890, 1H-Indole-2-carboxylicacid, 5-cyano-, ethyl ester, AC1NFWCF, ACMC-1C3LZ, Oprea1_392951, KSC503M4L, SCHEMBL1420412, CTK4A3645, DTXSID80405796, VZSOXWAHGVEQOT-UHFFFAOYSA-N, ACT03606, MIX-0110, ZINC2534108, ZX-BK000236, ANW-49978, BBL020536, CE-586, MFCD04966999, STK893225, AKOS001476078, AC-5211, CS-W022704, FS-3361, MCULE-3217789555, QC-8981, RP26807, RP26809, RTC-060650, VI30276, NCGC00335620-01, AJ-38596, BR-47708, CJ-09118, OR315362, SC-36733, SY019812, AB0034566, AX8103761, TC-060650, 4CH-006356, AM20020148, FT-0689438, ST24033206, X8742, S-4738, 5-Cyano-1H-indole-2carboxylic acid ethyl ester, AB01328156-02, MFCD04966999 (97+%), 191C137, C-58446, I14-12439, C12H10N2O2, ZINC02534108, CID4714953, methyl 5-cyano-1H-indole-2-carboxylate,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.224g/mol
Monoisotopic Mass	214.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

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