| CAS Number | 94598-32-0 |
| Catalog Number | AG003E2G(AGN-PC-003I4G) |
| Chemical Name | 1-Bromo-10,12-pentacosadiyne |
| IUPAC Name | 1-bromopentacosa-10,12-diyne |
| InChI | InChI=1S/C25H43Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h2-12,17-25H2,1H3 |
| InChI Key | NUDHYRYEPCJLCL-UHFFFAOYSA-N |
| MDL Number | MFCD00059029 |
| Molecular Formula | C25H43Br |
| Molecular Weight | 423.5129 |
| SMILES | CCCCCCCCCCCCC#CC#CCCCCCCCCCBr |
| Synonyms | 1-Bromo-10,12-pentacosadiyne,
94598-32-0,
1-bromopentacosa-10,12-diyne,
ACMC-209rss,
SCHEMBL93903,
10,12-Pentacosadiynyl Bromide,
CTK5H6854,
DTXSID00567502,
ANW-40298,
MFCD00059029,
AKOS015836163,
ZINC100026554,
TR-029558,
FT-0747463,
C-46379,
B1340,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.255g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 423.523g/mol |
| Monoisotopic Mass | 422.255g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 11.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number