| CAS Number | 173019-83-5 |
| Catalog Number | AG018GSF(AGN-PC-0N5S06) |
| Chemical Name | 1-(3-Bromoprop-1-yn-1-yl)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-(3-bromoprop-1-ynyl)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C10H6BrF3/c11-7-1-2-8-3-5-9(6-4-8)10(12,13)14/h3-6H,7H2 |
| InChI Key | IAAHLTKKGCESBD-UHFFFAOYSA-N |
| MDL Number | MFCD16631778 |
| Molecular Formula | C10H6BrF3 |
| Molecular Weight | 263.0538 |
| SMILES | FC(C1=CC=C(C#CCBr)C=C1)(F)F |
| Synonyms | 1-(3-bromoprop-1-yn-1-yl)-4-(trifluoromethyl)benzene,
173019-83-5,
SCHEMBL2297359,
CTK0E4404,
DTXSID90441160,
IAAHLTKKGCESBD-UHFFFAOYSA-N,
ZINC49176287,
AKOS015958112,
3-[4-(Trifluoromethyl)phenyl]-2-propynyl bromide,
1-(3-Bromo-1-propyn-1-yl)-4-(trifluoromethyl)benzene,
Benzene, 1-(3-bromo-1-propynyl)-4-(trifluoromethyl)-,
F2147-0715,
CID10515658,
1-(3-bromoprop-1-ynyl)-4-(trifluoromethyl)benzene,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.057g/mol |
| Monoisotopic Mass | 261.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number