| CAS Number | 853368-35-1 |
| Catalog Number | AG00G9XR(AGN-PC-0H2DT9) |
| Chemical Name | 3-Bromomethyl-5-fluoro-benzonitrile |
| IUPAC Name | 3-(bromomethyl)-5-fluorobenzonitrile |
| InChI | InChI=1S/C8H5BrFN/c9-4-6-1-7(5-11)3-8(10)2-6/h1-3H,4H2 |
| InChI Key | SUIFNMFWHQFXIP-UHFFFAOYSA-N |
| MDL Number | MFCD18394044 |
| Molecular Formula | C8H5BrFN |
| Molecular Weight | 214.0344 |
| SMILES | C1=C(C=C(C=C1F)C#N)CBr |
| Synonyms | 3-(bromomethyl)-5-fluorobenzonitrile,
853368-35-1,
3-Cyano-5-fluorobenzyl bromide,
3-Bromomethyl-5-fluoro-benzonitrile,
SCHEMBL319504,
SUIFNMFWHQFXIP-UHFFFAOYSA-N,
3-Bromomethyl-5-fluorobenzonitrile,
MFCD18394044,
ZINC89064424,
AKOS017552447,
FCH1371085,
PS-9991,
BBV-40247192,
Benzonitrile, 3-(bromomethyl)-5-fluoro-,
PC500533,
A1-03342,
N/A,
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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