AG006X2F

4815-34-3 | Ethyl 2-amino-5-phenylthiophene-3-carboxylate

AG006X2F

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CAS Number	4815-34-3
Catalog Number	AG006X2F(AGN-PC-0JU6J5)
Chemical Name	Ethyl 2-amino-5-phenylthiophene-3-carboxylate
IUPAC Name	ethyl 2-amino-5-phenylthiophene-3-carboxylate
InChI	InChI=1S/C13H13NO2S/c1-2-16-13(15)10-8-11(17-12(10)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChI Key	WIVNPGXPJBBZQH-UHFFFAOYSA-N
MDL Number	MFCD01829801
Molecular Formula	C13H13NO2S
Molecular Weight	247.3128
SMILES	CCOC(=O)C1=C(N)SC(=C1)C1=CC=CC=C1
Synonyms	ethyl 2-amino-5-phenylthiophene-3-carboxylate, 4815-34-3, 2-Amino-5-phenyl-thiophene-3-carboxylic acid ethyl ester, ethyl 2-amino-5-phenyl-3-thiophenecarboxylate, 2-Amino-5-phenylthiophene-3-carboxylic acid ethyl ester, MFCD01829801, 2-amino-5-phenyl-3-thiophenecarboxylic acid ethyl ester, Ethyl2-Amino-5-Phenylthiophene-3-Carboxylate, Enamine_004942, AC1LCX8Z, Oprea1_291881, MLS000062111, SCHEMBL654015, AC1Q334V, CHEMBL566531, CTK4J0690, ZINC84129, DTXSID30348604, WIVNPGXPJBBZQH-UHFFFAOYSA-N, HMS1408A14, HMS2350J03, ALBB-001960, BCP21440, ANW-74536, BBL016140, SBB009185, STK348723, AKOS000115889, AB09957, CCG-238377, MCULE-4961259516, RP28781, IDI1_007529, KS-000010J4, AC-28068, AJ-10662, BAS 02140670, SMR000070385, TS-00757, ZB002997, 2-amino-3-ethoxycarbonyl-5-phenylthiophene, AB0154189, DB-027755, TR-017670, BB 0258555, E1139, FT-0678523, R4958, ST24046838, ST45056920, Z2498, EN300-02938, ethyl 2-amino-5-phenyl-thiophene-3-carboxylate, AB00100935-01, ethyl 2-azanyl-5-phenyl-thiophene-3-carboxylate, 325E028, A827489, 2-Amino-5-phenyl thiophene-3-carboxylic ethyl ester, J-520708, I14-11526, 2-amino-5-phenyl-3-thiophenecarboxylic acid, ethyl ester, 2-amino-5-phenylthiophen-3-carboxylic acid ethyl ester, 3-thiophenecarboxylic acid, 2-amino-5-phenyl-, ethyl ester, 3-Thiophenecarboxylicacid, 2-amino-5-phenyl-, ethyl ester, InChI=1/C13H13NO2S/c1-2-16-13(15)10-8-11(17-12(10)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H, C13H13NO2S, CID638860, ZINC00084129, 2-amino-5-phenylthiophene-3-carboxylic acid, A7330, Ethyl 2-amino-5-phenylthiophene-3-carboxylate, 97% - 1G 1g, 61325-02-8,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.067g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.312g/mol
Monoisotopic Mass	247.067g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number