| CAS Number | 1190198-23-2 |
| Catalog Number | AG000P2E(AGN-PC-0WB0MF) |
| Chemical Name | 5-Fluorobenzo[b]thiophene-2-carbonitrile |
| IUPAC Name | 5-fluoro-1-benzothiophene-2-carbonitrile |
| InChI | InChI=1S/C9H4FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H |
| InChI Key | WPAXTSMSKDUDBL-UHFFFAOYSA-N |
| MDL Number | MFCD12922701 |
| Molecular Formula | C9H4FNS |
| Molecular Weight | 177.1982 |
| SMILES | S2(C1(=C(C=C(F)C=C1)C=C2C#N)) |
| Synonyms | 5-fluoro-1-benzothiophene-2-carbonitrile,
1190198-23-2,
5-fluorobenzo[b]thiophene-2-carbonitrile,
C9H4FNS,
fluorobenzothiophenecarbonitrile,
CTK7C7416,
DTXSID40670645,
KS-00001Q7W,
0690AD,
MFCD12922701,
SBB089262,
ZINC40566692,
AKOS005073154,
KD-0707,
MCULE-5142270484,
RP10758,
AJ-103667,
TR-065620,
5-fluoro-1-benzo[b]thiophene-2-carbonitrile,
J-517545,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.196g/mol |
| Monoisotopic Mass | 177.005g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^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
Lot Number