| CAS Number | 1427448-37-0 |
| Catalog Number | AG01FL7K(AGN-PC-3H4B2J) |
| Chemical Name | 2-Amino-4-fluoro-1,3-benzothiazole-6-carbonitrile |
| IUPAC Name | 2-amino-4-fluoro-1,3-benzothiazole-6-carbonitrile |
| InChI | InChI=1S/C8H4FN3S/c9-5-1-4(3-10)2-6-7(5)12-8(11)13-6/h1-2H,(H2,11,12) |
| InChI Key | HQJWVMZREMMKQY-UHFFFAOYSA-N |
| MDL Number | MFCD23705710 |
| Molecular Formula | C8H4FN3S |
| Molecular Weight | 193.2009 |
| SMILES | N#CC1C=C2C(N=C(S2)N)=C(F)C=1 |
| Synonyms | 2-Amino-4-fluorobenzo[d]thiazole-6-carbonitrile,
1427448-37-0,
SCHEMBL17859516,
2-Amino-4-fluoro-1,3-benzothiazole-6-carbonitrile,
N/A,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.199g/mol |
| Monoisotopic Mass | 193.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number