| CAS Number | 20059-87-4 |
| Catalog Number | AG01AM12 |
| Chemical Name | 1-bromo-2-fluoro-4-isocyanatobenzene |
| IUPAC Name | 1-bromo-2-fluoro-4-isocyanatobenzene |
| InChI | InChI=1S/C7H3BrFNO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H |
| InChI Key | WOTMUQRPKDDBEH-UHFFFAOYSA-N |
| MDL Number | MFCD16084774 |
| Molecular Formula | C7H3BrFNO |
| Molecular Weight | 216.0072 |
| SMILES | BrC1=C(C=C(C=C1)N=C=O)F |
| Synonyms | 1-bromo-2-fluoro-4-isocyanatobenzene,
20059-87-4,
SCHEMBL9858794,
WOTMUQRPKDDBEH-UHFFFAOYSA-N,
ZINC43577109,
2-fluoro-1-bromo-4-isocyanatobenzene,
AKOS010971860,
|
| 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