| CAS Number | 868271-14-1 |
| Catalog Number | AG00IE80(AGN-PC-06V8K3) |
| Chemical Name | 5-(trifluoromethyl)-1,2-benzoxazol-3-amine |
| IUPAC Name | 5-(trifluoromethyl)-1,2-benzoxazol-3-amine |
| InChI | InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13) |
| InChI Key | LSKOZQNIAMSAIB-UHFFFAOYSA-N |
| MDL Number | MFCD11847114 |
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.1333 |
| SMILES | NC1=NOC2=CC=C(C(F)(F)F)C=C12 |
| Synonyms | 868271-14-1,
5-(Trifluoromethyl)benzo[d]isoxazol-3-amine,
5-(Trifluoromethyl)-1,2-Benzoxazol-3-Amine,
5-Trifluoromethyl-benzo[d]isoxazol-3-ylamine,
1,2-Benzisoxazol-3-amine, 5-(trifluoromethyl)-,
SCHEMBL2634187,
LSKOZQNIAMSAIB-UHFFFAOYSA-N,
ZINC39470954,
AKOS017561741,
SC-31750,
AJ-100334,
Z-9142,
Z2756625645,
2O6,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.136g/mol |
| Monoisotopic Mass | 202.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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