6-(2,2-Difluoroethoxy)-5-methoxy-1,3-benzothiazol-2-amine - CAS 1855889-47-2
Catalog: |
BB051494 |
Product Name: |
6-(2,2-Difluoroethoxy)-5-methoxy-1,3-benzothiazol-2-amine |
CAS: |
1855889-47-2 |
Synonyms: |
2-Benzothiazolamine, 6-(2,2-difluoroethoxy)-5-methoxy-; 6-(2,2-Difluoro-ethoxy)-5-methoxy-benzothiazol-2-ylamine |
IUPAC Name: | 6-(2,2-difluoroethoxy)-5-methoxy-1,3-benzothiazol-2-amine |
Molecular Weight: | 260.26 |
Molecular Formula: | C10H10F2N2O2S |
Canonical SMILES: | COC1=C(C=C2C(=C1)N=C(S2)N)OCC(F)F |
InChI: | InChI=1S/C10H10F2N2O2S/c1-15-6-2-5-8(17-10(13)14-5)3-7(6)16-4-9(11)12/h2-3,9H,4H2,1H3,(H2,13,14) |
InChI Key: | YOLWJRMJTZTVGC-UHFFFAOYSA-N |
Boiling Point: | 387.3±52.0°C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.04310506 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.04310506 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 85.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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