AG00C5B9

34761-09-6 | Ethyl 3-aminobenzothiophene-2-carboxylate

AG00C5B9

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CAS Number	34761-09-6
Catalog Number	AG00C5B9(AGN-PC-0JVLLB)
Chemical Name	Ethyl 3-aminobenzothiophene-2-carboxylate
IUPAC Name	ethyl 3-amino-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C11H11NO2S/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3
InChI Key	XZSFZYVMRZLUOJ-UHFFFAOYSA-N
MDL Number	MFCD00661903
Molecular Formula	C11H11NO2S
Molecular Weight	221.2755
SMILES	O=C(C1=C(N)C2=CC=CC=C2S1)OCC
Synonyms	34761-09-6, ethyl 3-aminobenzo[b]thiophene-2-carboxylate, ethyl 3-amino-1-benzothiophene-2-carboxylate, ethyl 3-aminobenzothiophene-2-carboxylate, 3-AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER, MFCD00661903, 3-Aminobenzo[b]thiophene-2-carboxylic acid ethyl ester, Benzo[b]thiophene-2-carboxylic acid, 3-amino-, ethyl ester, AC1LE7JT, Maybridge1_003360, AC1Q331F, BEN789, SCHEMBL7215848, CHEMBL3219016, CTK4H2997, HMS551A16, DTXSID60352658, XZSFZYVMRZLUOJ-UHFFFAOYSA-N, ZINC145157, ALBB-021576, KS-00000NH8, 3-Amino-2-carboethoxy-benzothiophene, BBL006365, CCG-46019, HTS004171, SBB023862, STK350918, AKOS000281331, BS-4299, DS-3095, MCULE-9721329011, AJ-12525, AK-65257, CJ-01088, AB0003263, ST2412961, 4CH-016631, ST45160825, V5365, EN300-53562, K-7902, 761A096, SR-01000635748-1, F1606-0080, Z810541814, Benzo[b]thiophene-2-carboxylicacid, 3-amino-, ethyl ester, C11H11NO2S, CID731510, ZINC00145157, H0361,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.274g/mol
Monoisotopic Mass	221.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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