5-(Difluoromethoxy)-6-methoxy-1,3-benzothiazol-2-amine - CAS 1855888-96-8
Catalog: |
BB050827 |
Product Name: |
5-(Difluoromethoxy)-6-methoxy-1,3-benzothiazol-2-amine |
CAS: |
1855888-96-8 |
Synonyms: |
2-Benzothiazolamine, 5-(difluoromethoxy)-6-methoxy- |
IUPAC Name: | 5-(difluoromethoxy)-6-methoxy-1,3-benzothiazol-2-amine |
Molecular Weight: | 246.24 |
Molecular Formula: | C9H8F2N2O2S |
Canonical SMILES: | COC1=C(C=C2C(=C1)SC(=N2)N)OC(F)F |
InChI: | InChI=1S/C9H8F2N2O2S/c1-14-5-3-7-4(13-9(12)16-7)2-6(5)15-8(10)11/h2-3,8H,1H3,(H2,12,13) |
InChI Key: | CJXNBYGXLXDRND-UHFFFAOYSA-N |
Boiling Point: | 360.3±52.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.027455 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.027455 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 85.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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