| CAS Number | 1094485-14-9 |
| Catalog Number | AG019Y03 |
| Chemical Name | 1-Bromo-3-fluoro-5-isocyanatobenzene |
| IUPAC Name | 1-bromo-3-fluoro-5-isocyanatobenzene |
| InChI | InChI=1S/C7H3BrFNO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H |
| InChI Key | SIOKYKPILYGSTR-UHFFFAOYSA-N |
| MDL Number | MFCD11619406 |
| Molecular Formula | C7H3BrFNO |
| Molecular Weight | 216.0072 |
| SMILES | FC1=CC(N=C=O)=CC(Br)=C1 |
| Synonyms | 1-bromo-3-fluoro-5-isocyanatobenzene,
1094485-14-9,
AC1Q4LIQ,
CTK7G9893,
ZINC37034407,
AKOS008126154,
MCULE-2633816090,
NE37847,
EN300-56533,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.009g/mol |
| Monoisotopic Mass | 214.938g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number