AG00FASK

69604-00-8 | Ethyl 5-nitrobenzofuran-2-carboxylate

AG00FASK

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CAS Number	69604-00-8
Catalog Number	AG00FASK(AGN-PC-0WAD7S)
Chemical Name	Ethyl 5-nitrobenzofuran-2-carboxylate
EC Number	614-989-7
IUPAC Name	ethyl 5-nitro-1-benzofuran-2-carboxylate
InChI	InChI=1S/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3
InChI Key	ATHBGWVHAWGMAL-UHFFFAOYSA-N
MDL Number	MFCD00275272
Molecular Formula	C11H9NO5
Molecular Weight	235.1929
SMILES	O=C(C1=CC2=CC([N+]([O-])=O)=CC=C2O1)OCC
Synonyms	Ethyl 5-nitrobenzofuran-2-carboxylate, 69604-00-8, 69404-00-8, ethyl 5-nitro-1-benzofuran-2-carboxylate, Ethyl 5-nitrobenzo[b]furan-2-carboxylate, 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester, 5-Nitrobenzofuran-2-carboxylic acid ethyl ester, ethyl 5-nitrobenzo[d]furan-2-carboxylate, 5-NITROBENZO[B]FURAN-2-CARBOXYLIC ACID ETHYL ESTER, AC1LQUTQ, PubChem15412, 5-nitro-2-benzofurancarboxylic acid ethyl ester, ethylnitrobenzofurancarboxylate, KSC352C3T, SCHEMBL2249264, CTK2F2139, ATHBGWVHAWGMAL-UHFFFAOYSA-N, BCP08877, CS-M1104, KS-00000BS8, KS-000022TU, ZINC1236715, ANW-46386, EBD218183, Ethyl5-Nitrobenzofuran-2-carboxylate, GEO-01364, MFCD00275272, SBB054063, ethyl-5-nitrobenzofuran-2-carboxylate, AKOS005071959, BB-0814, RP13497, AC-26406, AJ-25178, ethyl-5-nitro-1-benzofuran-2-carboxylate, SY024789, DB-074191, TR-023149, E0950, Ethyl 5-nitrobenzofuran-2-carboxylate, 97%, FT-0620704, FT-0680847, ST24025016, ST50405992, X3183, MFCD00275272 (97%), 2-Benzofurancarboxylicacid,5-nitro-,ethyl ester, C-1214, 5-Nitro-benzofuran-2-carboxylic acid ethyl ester, 5-Nitrobenzofuran-2-carboxylic acid ethyl esther, A836478, J-521153, J-640084, J-800067, W-200484, I01-12554, I14-16006, 2-Chloro-6-methoxypyridine, C11H9NO5, ZINC01236715, ACN-028500, CB11802, CID1382954, ethyl5-nitro-1-benzofuran-2-carboxylate,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.048g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.195g/mol
Monoisotopic Mass	235.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	85.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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