| CAS Number | 143708-35-4 |
| Catalog Number | AG00ASYB(AGN-PC-0N1IJ9) |
| Chemical Name | 2-(chloromethyl)-5-fluoro-1,3-benzoxazole |
| IUPAC Name | 2-(chloromethyl)-5-fluoro-1,3-benzoxazole |
| InChI | InChI=1S/C8H5ClFNO/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2 |
| InChI Key | WIXMKUSKZDRJAW-UHFFFAOYSA-N |
| MDL Number | MFCD10696613 |
| Molecular Formula | C8H5ClFNO |
| Molecular Weight | 185.5828 |
| SMILES | FC1=CC2=C(OC(=N2)CCl)C=C1 |
| Synonyms | 143708-35-4,
2-(chloromethyl)-5-fluoro-1,3-benzoxazole,
2-(CHLOROMETHYL)-5-FLUOROBENZO[D]OXAZOLE,
2-(Chloromethyl)-5-fluorobenzoxazole,
2-Chloromethyl-5-fluoro-benzooxazole,
MFCD10696613,
ZINC38434490,
AKOS006303627,
AB57759,
AS-0181,
NE39005,
Benzoxazole, 2-(chloromethyl)-5-fluoro-,
SY130181,
MFCD10696613 (95%),
2-(chloromethyl)-5-fluoro-benzooxazole,
CID10261825,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.582g/mol |
| Monoisotopic Mass | 185.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number