AG002ISN

20699-85-8 | Benzo[b]thiophene-2-carboxylic acid, 5-amino-, methyl ester

AG002ISN

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CAS Number	20699-85-8
Catalog Number	AG002ISN(AGN-PC-0KLR3O)
Chemical Name	Benzo[b]thiophene-2-carboxylic acid, 5-amino-, methyl ester
IUPAC Name	methyl 5-amino-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C10H9NO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,11H2,1H3
InChI Key	SIMBULBEQVHFPK-UHFFFAOYSA-N
MDL Number	MFCD04123924
Molecular Formula	C10H9NO2S
Molecular Weight	207.2490
SMILES	O=C(C1=CC2=CC(N)=CC=C2S1)OC
Synonyms	Methyl 5-aminobenzo[b]thiophene-2-carboxylate, 20699-85-8, methyl 5-amino-1-benzothiophene-2-carboxylate, 5-Aminothionaphthene-2-carboxylic acid methyl ester, Benzo[b]thiophene-2-carboxylic acid, 5-amino-, methyl ester, methyl 5-aminobenzothiophene-2-carboxylate, Maybridge3_004413, AC1ME7Q8, SCHEMBL100069, CTK4E4908, KS-00000KYW, DTXSID40384972, SIMBULBEQVHFPK-UHFFFAOYSA-N, HMS1443I13, ZINC130609, ACT03683, ANW-48652, BBL021336, CM-598, MFCD04123924, SBB093880, STK894047, AKOS000348721, AC-5192, CCG-251621, CS-W022860, DS-1439, MCULE-2675812700, RP26317, SDCCGMLS-0066170.P001, IDI1_015800, AJ-12100, AK-25576, AN-11213, BR-25576, ZB004564, AB0023315, DB-011155, methyl 5-aminobenzo[b]thiophene-carboxylate, ST2419593, TC-060726, 4CH-013862, FT-0647823, methyl5-aminobenzo[b]thiophene-2-carboxylate, W4346, methyl 5-azanyl-1-benzothiophene-2-carboxylate, Methyl-5-amino-benzo[b]thiophene-2-carboxylate, S-3456, 699M858, A814824, SR-01000003835, I09-1533, J-522435, SR-01000003835-1, 5-amino-1-benzothiophene-2-carboxylic acid methyl ester, 5-Amino-benzo[b]thiophene-2-carboxylic acid methyl ester, 5-Amino-benzo[b]thiophene-2-carboxylic acid methylester, 5-Aminobenzo[b]thiophene-2-carboxylic acid methyl ester, C10H9NO2S, ZINC00130609, CID2824064, ethyl 5-aminobenzo[b]thiophene-2-carboxylate, METHYL5-AMINO-1-BENZOTHIOPHENE-2-CARBOXYLATE,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.247g/mol
Monoisotopic Mass	207.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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