| CAS Number | 131337-75-2 |
| Catalog Number | AG009XI4(AGN-PC-0O0ZT8) |
| Chemical Name | 2-(Chloromethyl)-5-(trifluoromethyl)-1,3-benzoxazole |
| IUPAC Name | 2-(chloromethyl)-5-(trifluoromethyl)-1,3-benzoxazole |
| InChI | InChI=1S/C9H5ClF3NO/c10-4-8-14-6-3-5(9(11,12)13)1-2-7(6)15-8/h1-3H,4H2 |
| InChI Key | PSLXDVMPZACQOM-UHFFFAOYSA-N |
| MDL Number | MFCD10696619 |
| Molecular Formula | C9H5ClF3NO |
| Molecular Weight | 235.5903 |
| SMILES | FC(C1=CC2=C(OC(=N2)CCl)C=C1)(F)F |
| Synonyms | 131337-75-2,
2-(chloromethyl)-5-(trifluoromethyl)-1,3-benzoxazole,
2-(CHLOROMETHYL)-5-(TRIFLUOROMETHYL)BENZO[D]OXAZOLE,
2-(Chloromethyl)-5-(trifluoromethyl)benzoxazole,
2-chloromethyl-5-trifluoromethyl-1,3-benzoxazole,
2-chloromethyl-5-trifluoromethyl-benzoxazole,
SCHEMBL15707863,
PSLXDVMPZACQOM-UHFFFAOYSA-N,
ZINC78210770,
AKOS017554773,
AB57774,
NE14825,
SY130183,
2-ChloroMethyl-5-trifluoroMethyl-benzooxazole,
MFCD10696619 (95%),
2-(Chloromethyl)-5-(trifluoromethyl)-1,3-benzoxazole 95%,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.59g/mol |
| Monoisotopic Mass | 235.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^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