| CAS Number | 951918-41-5 |
| Catalog Number | AG00IITK(AGN-PC-0WAY6S) |
| Chemical Name | 2-(4-Bromo-2-chlorophenoxy)acetonitrile |
| IUPAC Name | 2-(4-bromo-2-chlorophenoxy)acetonitrile |
| InChI | InChI=1S/C8H5BrClNO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,4H2 |
| InChI Key | ZIYJCXGUCZBOTC-UHFFFAOYSA-N |
| MDL Number | MFCD09152774 |
| Molecular Formula | C8H5BrClNO |
| Molecular Weight | 246.4884 |
| SMILES | [Br]C1(=CC(Cl)=C(OCC#N)C=C1) |
| Synonyms | 2-(4-bromo-2-chlorophenoxy)acetonitrile,
951918-41-5,
bromochlorophenoxyacetonitrile,
SCHEMBL11026699,
CTK7D0655,
MFCD09152774,
ZINC11834429,
AKOS005071870,
BB-0610,
MCULE-6379435195,
RP14056,
AJ-60231,
AM805577,
TR-064320,
CS-0046865,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.488g/mol |
| Monoisotopic Mass | 244.924g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number