| CAS Number | 1216708-87-0 |
| Catalog Number | AG0015JT(AGN-PC-0WAD42) |
| Chemical Name | Ethyl 3-amino-6-bromobenzothiophene-2-carboxylate |
| IUPAC Name | ethyl 3-amino-6-bromo-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C11H10BrNO2S/c1-2-15-11(14)10-9(13)7-4-3-6(12)5-8(7)16-10/h3-5H,2,13H2,1H3 |
| InChI Key | SVDHYNLCQITTOT-UHFFFAOYSA-N |
| MDL Number | MFCD11505028 |
| Molecular Formula | C11H10BrNO2S |
| Molecular Weight | 300.1716 |
| SMILES | CCOC(C1=C(N)C2=C(C=C(C=C2)Br)S1)=O |
| Synonyms | 1216708-87-0,
Ethyl 3-Amino-6-bromo-1-benzothiophene-2-carboxylate,
Ethyl 3-amino-6-bromobenzothiophene-2-carboxylate,
ethyl 3-amino-6-bromobenzo[b]thiophene-2-carboxylate,
CTK6F8145,
KS-00003HE1,
MFCD11505028,
SBB053978,
ZINC40448028,
AKOS025116803,
AS-8353,
MCULE-8508817334,
ST50949761,
Z8431,
K-1625,
ethyl 3-amino-6-bromo-1-benzo[b]thiophene-2-carboxylate,
Benzo[b]thiophene-2-carboxylic acid, 3-amino-6-bromo-, ethyl ester,
C11H10BrNO2S,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.17g/mol |
| Monoisotopic Mass | 298.962g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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