| CAS Number | 346446-95-5 |
| Catalog Number | AG00I6UB(AGN-PC-0WOI2K) |
| Chemical Name | 1-(4-Bromophenyl)pent-4-en-1-ol |
| IUPAC Name | 1-(4-bromophenyl)pent-4-en-1-ol |
| InChI | InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2,5-8,11,13H,1,3-4H2 |
| InChI Key | YLEKBWCBWPNKNQ-UHFFFAOYSA-N |
| MDL Number | MFCD20290882 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | OC(C1=CC=C(Br)C=C1)CCC=C |
| Synonyms | 1-(4-bromophenyl)pent-4-en-1-ol,
346446-95-5,
1-(4-bromo-phenyl)-pent-4-en-1-ol,
SCHEMBL2690630,
1-(4-Bromophenyl)-4-pentene-1-ol,
AKOS013638662,
CID11368466,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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