| CAS Number | 1178438-59-9 |
| Catalog Number | AG01DV1B |
| Chemical Name | (2-bromoprop-2-en-1-yl)[(4-chlorophenyl)methyl]amine |
| IUPAC Name | 2-bromo-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine |
| InChI | InChI=1S/C10H11BrClN/c1-8(11)6-13-7-9-2-4-10(12)5-3-9/h2-5,13H,1,6-7H2 |
| InChI Key | BREWGQVJPIVGRM-UHFFFAOYSA-N |
| MDL Number | MFCD12800913 |
| Molecular Formula | C10H11BrClN |
| Molecular Weight | 260.5580 |
| SMILES | ClC1=CC=C(CNCC(Br)=C)C=C1 |
| Synonyms | 2-bromo-N-(4-chlorobenzyl)prop-2-en-1-amine,
1178438-59-9,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.559g/mol |
| Monoisotopic Mass | 258.976g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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