| CAS Number | 710351-24-9 |
| Catalog Number | AG00FCLL |
| Chemical Name | 3-Bromo-4-fluorophenyl isothiocyanate |
| IUPAC Name | 2-bromo-1-fluoro-4-isothiocyanatobenzene |
| InChI | InChI=1S/C7H3BrFNS/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H |
| InChI Key | NBSZCFBECRGGJR-UHFFFAOYSA-N |
| MDL Number | MFCD06657953 |
| Molecular Formula | C7H3BrFNS |
| Molecular Weight | 232.0728 |
| SMILES | BrC1=C(C=CC(=C1)N=C=S)F |
| Synonyms | 3-Bromo-4-fluorophenyl isothiocyanate,
2-bromo-1-fluoro-4-isothiocyanatobenzene,
710351-24-9,
AC1MC4BZ,
SCHEMBL13559510,
CTK8A7563,
DTXSID70375595,
ZINC4290330,
3-bromo-4-fluorophenylisothiocyanate,
MFCD06657953,
CS-W000096,
AS-36572,
RT-019581,
ZINC04290330,
CID2761167,
|
| 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