| CAS Number | 292068-77-0 |
| Catalog Number | AG002XOL(AGN-PC-0R4WJX) |
| Chemical Name | 5-((tert-Butoxycarbonyl)amino)benzo[b]thiophene-2-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylic acid |
| InChI | InChI=1S/C14H15NO4S/c1-14(2,3)19-13(18)15-9-4-5-10-8(6-9)7-11(20-10)12(16)17/h4-7H,1-3H3,(H,15,18)(H,16,17) |
| InChI Key | GLLFQKVJBXZJON-UHFFFAOYSA-N |
| MDL Number | MFCD07368330 |
| Molecular Formula | C14H15NO4S |
| Molecular Weight | 293.3382 |
| SMILES | CC(OC(NC1=CC2=C(SC(C(O)=O)=C2)C=C1)=O)(C)C |
| Synonyms | 292068-77-0,
5-tert-Butoxycarbonylamino-benzo[b]thiophene-2-carboxylic acid,
5-((tert-Butoxycarbonyl)amino)benzo[b]thiophene-2-carboxylic acid,
5-[(tert-Butoxycarbonyl)amino]benzo[b]thiophene-2-carboxylic acid,
SCHEMBL16396248,
CTK8I0487,
GLLFQKVJBXZJON-UHFFFAOYSA-N,
ZINC39321002,
AKOS015996347,
FCH1625118,
ACM292068770,
5-(tert-butoxycarbonylamino)benzo[b]thiophene-2-carboxylic acid,
5-tert-Butoxycarbonylaminobenzo[b]thiophene-2-carboxylic acid,
Benzo[b]thiophene-2-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-,
5-Boc-amino-benzo[b]thiophene-2-carboxylic acid,
5-TERT-BUTOXYCARBONYLAMINO-BENZO[B]THIOPHENE-2-CARBOXYLICACID,
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| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.337g/mol |
| Monoisotopic Mass | 293.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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