| CAS Number | 1260814-48-9 |
| Catalog Number | AG01BDBW |
| Chemical Name | 4-(Chloromethyl)-2-fluorobenzonitrile |
| IUPAC Name | 4-(chloromethyl)-2-fluorobenzonitrile |
| InChI | InChI=1S/C8H5ClFN/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2 |
| InChI Key | ZERWLGSVTSTFHN-UHFFFAOYSA-N |
| MDL Number | MFCD11520907 |
| Molecular Formula | C8H5ClFN |
| Molecular Weight | 169.5834 |
| SMILES | FC1=C(C#N)C=CC(CCl)=C1 |
| Synonyms | 4-(chloromethyl)-2-fluorobenzonitrile,
1260814-48-9,
p-cyano-m-fluorobenzylchoride,
SCHEMBL17201240,
ZERWLGSVTSTFHN-UHFFFAOYSA-N,
ZINC78676603,
AKOS006324306,
NE32009,
4-cyano-3-fluorobenzyl chloride,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.583g/mol |
| Monoisotopic Mass | 169.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number