| CAS Number | 1246527-18-3 |
| Catalog Number | AG000MIF(AGN-PC-0H4JJW) |
| Chemical Name | 3-(Bromomethyl)-2-fluorobenzonitrile |
| IUPAC Name | 3-(bromomethyl)-2-fluorobenzonitrile |
| InChI | InChI=1S/C8H5BrFN/c9-4-6-2-1-3-7(5-11)8(6)10/h1-3H,4H2 |
| InChI Key | WPLJIURLNNOZJL-UHFFFAOYSA-N |
| MDL Number | MFCD18394043 |
| Molecular Formula | C8H5BrFN |
| Molecular Weight | 214.0344 |
| SMILES | FC1=C(C#N)C=CC=C1CBr |
| Synonyms | 3-(bromomethyl)-2-fluorobenzonitrile,
1246527-18-3,
SCHEMBL410436,
3-Cyano-2-fluorobenzyl bromide,
WPLJIURLNNOZJL-UHFFFAOYSA-N,
MFCD18394043,
ZINC88613705,
AKOS030627772,
FCH1371084,
AS-47377,
BBV-40247191,
Benzonitrile, 3-(bromomethyl)-2-fluoro-,
PC500556,
EN300-123590,
A1-08124,
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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 | 212.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.037g/mol |
| Monoisotopic Mass | 212.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number