| CAS Number | 1260892-59-8 |
| Catalog Number | AG00IWJC(AGN-PC-0WAZ8C) |
| Chemical Name | 5-(Chloromethyl)-2-fluorobenzonitrile |
| IUPAC Name | 5-(chloromethyl)-2-fluorobenzonitrile |
| InChI | InChI=1S/C8H5ClFN/c9-4-6-1-2-8(10)7(3-6)5-11/h1-3H,4H2 |
| InChI Key | CSPDAAJCKMRPJS-UHFFFAOYSA-N |
| MDL Number | MFCD12756602 |
| Molecular Formula | C8H5ClFN |
| Molecular Weight | 169.5834 |
| SMILES | N#CC1C(F)=CC=C(CCl)C=1 |
| Synonyms | 5-(chloromethyl)-2-fluorobenzonitrile,
1260892-59-8,
3-Cyano-4-fluorobenzyl chloride,
chloromethylfluorobenzonitrile,
KS-000024DS,
MFCD12756602,
ZINC66325716,
AKOS014097316,
DF-0720,
MCULE-3192468672,
RP10474,
I01-8557,
|
| 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