AG001XAX

16732-57-3 | 1H-Indole-2-carboxylic acid, 5-nitro-, ethyl ester

AG001XAX

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CAS Number	16732-57-3
Catalog Number	AG001XAX(AGN-PC-0JP4W3)
Chemical Name	1H-Indole-2-carboxylic acid, 5-nitro-, ethyl ester
IUPAC Name	ethyl 5-nitro-1H-indole-2-carboxylate
InChI	InChI=1S/C11H10N2O4/c1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10/h3-6,12H,2H2,1H3
InChI Key	DVFJMQCNICEPAI-UHFFFAOYSA-N
MDL Number	MFCD00216477
Molecular Formula	C11H10N2O4
Molecular Weight	234.2081
NSC Number	131897
SMILES	O=C(C(N1)=CC2=C1C=CC([N+]([O-])=O)=C2)OCC
Synonyms	ethyl 5-nitroindole-2-carboxylate, 16732-57-3, ethyl 5-nitro-1H-indole-2-carboxylate, ethyl-5-nitroindole-2-carboxylate, 5-nitroindole-2-carboxylic acid ethyl ester, ethyl-5-nitro-1h-indole-carboxylate, 1H-Indole-2-carboxylic acid, 5-nitro-, ethyl ester, 2-Ethoxycarbonyl-5-nitroindole, MFCD00216477, Labotest-Bb Lt00441291, Ethyl 5-nitroindole-2-carboxylate, 95%, NSC131897, PubChem3016, AC1Q1YUM, ACMC-209dw7, ethyl 5-nitro-2-carboxylate, Oprea1_174962, KSC183C6P, SCHEMBL656156, AC1L5S40, AC1Q34A4, IND063, CTK0I3167, KS-00000BFC, DTXSID80299657, Ethyl5-Nitroindole-2-carboxylate, DVFJMQCNICEPAI-UHFFFAOYSA-N, ethyl 5-nitro-2-indolecarboxylate, ZINC153779, ACT02476, ethyl 5-nitro indole-2-carboxylate, STR05636, ANW-22277, CE-065, SBB012437, STK365349, AKOS005135664, 2-(Ethoxycarbonyl)-5-nitro-1H-indole, AC-7290, ACN-050871, AN-9172, CCG-236934, CS-W006357, ethyl 5-nitro-1H-indole 2-carboxylate, LS20413, MCULE-3313913027, NSC-131897, PS-4214, RD-0123, TRA0072826, VI30384, AJ-13089, AK-49465, BC225145, BR-49465, CJ-01294, S315, SC-01585, ST069341, SY005499, ZB005562, 2-ethyl-5-nitro-1H-indole-1-carboxylate, 5-nitro-2-indolecarboxylic acid ethyl ester, AB0018569, DB-008947, ST2406977, TC-111022, FT-0637413, 5-nitro-indole-2-carboxylic acid ethyl ester, ethyl 5-nitroindole-2-carboxylate, AldrichCPR, ETHYL-5-NITRO-1H-INDOLE-2-CARBOXYLATE, M-1782, N-3303, MFCD00216477 (97+%), C11H10N2O4, AR-1I9462, CID280312, CB10296, A3709, 5-Nitro-1H-indole-2-carboxylic acid ethyl ester, Ethyl 5-nitro-1H-indole-2-carboxylate, 98% - 1G 1g, 16802-64-5,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.064g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.211g/mol
Monoisotopic Mass	234.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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