| CAS Number | 173019-82-4 |
| Catalog Number | AG01B7D6(AGN-PC-0N5QLV) |
| Chemical Name | 1-(3-Bromoprop-1-yn-1-yl)-4-chlorobenzene |
| IUPAC Name | 1-(3-bromoprop-1-ynyl)-4-chlorobenzene |
| InChI | InChI=1S/C9H6BrCl/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,7H2 |
| InChI Key | NHGQPCNDWQQVQJ-UHFFFAOYSA-N |
| MDL Number | MFCD22482469 |
| Molecular Formula | C9H6BrCl |
| Molecular Weight | 229.5009 |
| SMILES | ClC1=CC=C(C#CCBr)C=C1 |
| Synonyms | 173019-82-4,
1-(3-bromoprop-1-yn-1-yl)-4-chlorobenzene,
1-(3-bromo-prop-1-ynyl)-4-chloro-benzene,
SCHEMBL2432676,
NHGQPCNDWQQVQJ-UHFFFAOYSA-N,
ZINC95631816,
1-(3-bromoprop-1-ynyl)-4-chlorobenzene,
1-(3bromo-prop-1-ynyl)-4-chloro-benzene,
[3-(4-Chlorophenyl)-prop-2-ynyl]-bromide,
CID10513607,
1-(3-bromoprop-1-ynyl)-4-chloro-benzene,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.501g/mol |
| Monoisotopic Mass | 227.934g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number