| CAS Number | 345903-03-9 |
| Catalog Number | AG00CKYK(AGN-PC-0MUA4T) |
| Chemical Name | 4-(Chloromethyl)-3-fluorobenzonitrile |
| IUPAC Name | 4-(chloromethyl)-3-fluorobenzonitrile |
| InChI | InChI=1S/C8H5ClFN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2 |
| InChI Key | HBJIJFADGURZGI-UHFFFAOYSA-N |
| MDL Number | MFCD18394050 |
| Molecular Formula | C8H5ClFN |
| Molecular Weight | 169.5834 |
| SMILES | FC1=C(CCl)C=CC(C#N)=C1 |
| Synonyms | 4-(Chloromethyl)-3-fluorobenzonitrile,
345903-03-9,
4-Chloromethyl-3-fluoro-benzonitrile,
SCHEMBL6942504,
4-Cyano-2-fluorobenzyl chloride,
DTXSID30431444,
4-Chloromethyl-3-fluorobenzonitrile,
4186AB,
MFCD18394050,
ZINC33975235,
AKOS014096715,
AJ-86539,
DB-021690,
FT-0712748,
Z-5435,
C8H5ClFN,
CID9834070,
4-(chloromethyl)-3-fluoro-benzonitrile,
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| 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
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Certificate of Analysis
Lot Number