| CAS Number | 154405-38-6 |
| Catalog Number | AG00ASW0(AGN-PC-003001) |
| Chemical Name | 3-(2-Bromophenoxy)propanenitrile |
| IUPAC Name | 3-(2-bromophenoxy)propanenitrile |
| InChI | InChI=1S/C9H8BrNO/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5H,3,7H2 |
| InChI Key | FMKAAGCNRHGGQO-UHFFFAOYSA-N |
| MDL Number | MFCD09934022 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | Brc1ccccc1OCCC#N |
| Synonyms | 3-(2-bromophenoxy)propanenitrile,
154405-38-6,
SCHEMBL8579567,
CTK8H0769,
DTXSID70565353,
MFCD09934022,
ZINC19439518,
AKOS000173159,
CS-0060464,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number