| CAS Number | 218153-01-6 |
| Catalog Number | AG019ZJQ(AGN-PC-03HCFR) |
| Chemical Name | 4-(3-bromophenyl)butan-1-ol |
| IUPAC Name | 4-(3-bromophenyl)butan-1-ol |
| InChI | InChI=1S/C10H13BrO/c11-10-6-3-5-9(8-10)4-1-2-7-12/h3,5-6,8,12H,1-2,4,7H2 |
| InChI Key | RUJHXULZDUAFOT-UHFFFAOYSA-N |
| MDL Number | MFCD20340721 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | OCCCCC1=CC(Br)=CC=C1 |
| Synonyms | 4-(3-bromophenyl)butan-1-ol,
218153-01-6,
3-Bromo-benzenebutanol,
Benzenebutanol, 3-bromo-,
4-(3-bromophenyl)butanol,
SCHEMBL1047547,
RUJHXULZDUAFOT-UHFFFAOYSA-N,
ZINC70769918,
AKOS013841342,
MCULE-3217566034,
NE46757,
Z1427939296,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number