| CAS Number | 52449-01-1 |
| Catalog Number | AG01AIIS(AGN-PC-05CJM0) |
| Chemical Name | 3-(2-Bromophenoxy)propan-1-ol |
| IUPAC Name | 3-(2-bromophenoxy)propan-1-ol |
| InChI | InChI=1S/C9H11BrO2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,11H,3,6-7H2 |
| InChI Key | VCPDWUFXIQUZSV-UHFFFAOYSA-N |
| MDL Number | MFCD11614018 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | OCCCOC1=C(Br)C=CC=C1 |
| Synonyms | 3-(2-bromophenoxy)propan-1-ol,
52449-01-1,
ZINC19786138,
AKOS005363308,
MCULE-9643895213,
NE15208,
EN300-77964,
Z149303380,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.089g/mol |
| Monoisotopic Mass | 229.994g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number