| CAS Number | 835912-83-9 |
| Catalog Number | AG00IDB5(AGN-PC-0KKNGG) |
| Chemical Name | Methyl 3-amino-5-fluoro-benzo[b]thiophene-2-carboxylate |
| IUPAC Name | methyl 3-amino-5-fluoro-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C10H8FNO2S/c1-14-10(13)9-8(12)6-4-5(11)2-3-7(6)15-9/h2-4H,12H2,1H3 |
| InChI Key | DWVFEGXDEUEYHF-UHFFFAOYSA-N |
| MDL Number | MFCD06411643 |
| Molecular Formula | C10H8FNO2S |
| Molecular Weight | 225.2394 |
| SMILES | C1(=CC=C2C(C(N)=C(C(=O)OC)S2)=C1)F |
| Synonyms | 835912-83-9,
methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate,
Methyl 3-amino-5-fluoro-benzo[b]thiophene-2-carboxylate,
methyl 3-amino-5-fluoro-1-benzothiophene-2-carboxylate,
AC1MC14M,
SCHEMBL4547547,
CTK8E6020,
KS-00003KH4,
ZINC4268515,
AKOS022190130,
FS-1695,
MCULE-3270496160,
AJ-49963,
RT-023000,
ST51042111,
3-amino-5-fluoro-benzo[b]thiophene-2-carboxylic acid methyl ester,
ZINC04268515,
CID2759753,
144899-95-6,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.237g/mol |
| Monoisotopic Mass | 225.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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