| CAS Number | 1016788-39-8 |
| Catalog Number | AG019UK1 |
| Chemical Name | 2-Chloro-4-fluoro-1-isocyanatobenzene |
| IUPAC Name | 2-chloro-4-fluoro-1-isocyanatobenzene |
| InChI | InChI=1S/C7H3ClFNO/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H |
| InChI Key | ABZXFFSLKUIGHE-UHFFFAOYSA-N |
| MDL Number | MFCD09946620 |
| Molecular Formula | C7H3ClFNO |
| Molecular Weight | 171.5562 |
| SMILES | FC1=CC(Cl)=C(N=C=O)C=C1 |
| Synonyms | 2-chloro-4-fluoro-1-isocyanatobenzene,
2-Chloro-4-fluorophenyl isocyanate,
1016788-39-8,
AC1Q4LND,
SCHEMBL1944267,
CTK7G9912,
2-Chloro-4-fluorophenylisocyanate,
ABZXFFSLKUIGHE-UHFFFAOYSA-N,
ZINC19509523,
AKOS000188713,
MCULE-1447325146,
NE14673,
BC226694,
SY176440,
EN300-41905,
MFCD09946620 (95%),
2-FLUOROANILINE,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.555g/mol |
| Monoisotopic Mass | 170.989g/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