| CAS Number | 364364-00-1 |
| Catalog Number | AG01DWDM(AGN-PC-0WCQTF) |
| Chemical Name | 2-Bromo-1-fluoro-3-isothiocyanatobenzene |
| IUPAC Name | 2-bromo-1-fluoro-3-isothiocyanatobenzene |
| InChI | InChI=1S/C7H3BrFNS/c8-7-5(9)2-1-3-6(7)10-4-11/h1-3H |
| InChI Key | BIANPLKOXXZKJV-UHFFFAOYSA-N |
| MDL Number | MFCD22557657 |
| Molecular Formula | C7H3BrFNS |
| Molecular Weight | 232.0728 |
| SMILES | S=C=NC1=C(Br)C(F)=CC=C1 |
| Synonyms | 2-Bromo-1-fluoro-3-isothiocyanatobenzene,
364364-00-1,
SCHEMBL7256052,
GEO-03723,
MFCD22557657,
AKOS030235244,
ZINC169170128,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.07g/mol |
| Monoisotopic Mass | 230.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number