| CAS Number | 139549-22-7 |
| Catalog Number | AG00A0O2(AGN-PC-0N3EYY) |
| Chemical Name | 2-(Chloromethyl)-4-fluoro-1,3-benzoxazole |
| IUPAC Name | 2-(chloromethyl)-4-fluoro-1,3-benzoxazole |
| InChI | InChI=1S/C8H5ClFNO/c9-4-7-11-8-5(10)2-1-3-6(8)12-7/h1-3H,4H2 |
| InChI Key | AEOPPVPQYXKXJD-UHFFFAOYSA-N |
| MDL Number | MFCD10696622 |
| Molecular Formula | C8H5ClFNO |
| Molecular Weight | 185.5828 |
| SMILES | FC1=C2C(OC(=N2)CCl)=CC=C1 |
| Synonyms | 139549-22-7,
2-(CHLOROMETHYL)-4-FLUORO-1,3-BENZOXAZOLE,
2-(Chloromethyl)-4-fluorobenzoxazole,
2-(CHLOROMETHYL)-4-FLUOROBENZO[D]OXAZOLE,
SCHEMBL9680689,
2-Chloromethyl-4-fluoro-benzooxazole,
ZINC38672116,
AKOS006303630,
AB57782,
Benzoxazole, 2-(chloromethyl)-4-fluoro-,
SY130193,
MFCD10696622 (95%),
2-(chloromethyl)-4-fluoro-benzooxazole,
CID10375163,
|
| 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