| CAS Number | 198204-16-9 |
| Catalog Number | AG002BCW(AGN-PC-0QPPDB) |
| Chemical Name | Methyl 3-amino-5,6-dimethoxybenzo[b]thiophene-2-carboxylate |
| IUPAC Name | methyl 3-amino-5,6-dimethoxy-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C12H13NO4S/c1-15-7-4-6-9(5-8(7)16-2)18-11(10(6)13)12(14)17-3/h4-5H,13H2,1-3H3 |
| InChI Key | KMFCKLYXDRSRCO-UHFFFAOYSA-N |
| MDL Number | MFCD27996425 |
| Molecular Formula | C12H13NO4S |
| Molecular Weight | 267.3009 |
| SMILES | COC(=O)C1=C(N)C2=CC(OC)=C(OC)C=C2S1 |
| Synonyms | Methyl 3-amino-5,6-dimethoxybenzo[b]thiophene-2-carboxylate,
198204-16-9,
AK149998,
MFCD27996425,
ZINC39001303,
AKOS022189538,
DS-9250,
AJ-97325,
AX8287212,
Benzo[b]thiophene-2-carboxylic acid, 3-amino-5,6-dimethoxy-, methyl ester,
CID10539750,
Methyl 3-amino-5,6-dimethoxy-benzothiophene-2-carboxylate,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.299g/mol |
| Monoisotopic Mass | 267.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number