| CAS Number | 184970-27-2 |
| Catalog Number | AG019UX8(AGN-PC-03EYMN) |
| Chemical Name | 1-(Bromomethyl)-3-isopropoxybenzene |
| IUPAC Name | 1-(bromomethyl)-3-propan-2-yloxybenzene |
| InChI | InChI=1S/C10H13BrO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,7H2,1-2H3 |
| InChI Key | KDDVZGFLGMXKRC-UHFFFAOYSA-N |
| MDL Number | MFCD11180500 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | BrCC1=CC(=CC=C1)OC(C)C |
| Synonyms | 1-(bromomethyl)-3-isopropoxybenzene,
1-(bromomethyl)-3-(propan-2-yloxy)benzene,
184970-27-2,
AC1Q1QN8,
SCHEMBL592594,
CTK5I9848,
KDDVZGFLGMXKRC-UHFFFAOYSA-N,
1-Bromomethyl-3-isopropoxy-benzene,
ZINC32625188,
AKOS009310857,
NE18368,
DA-08955,
FT-0708666,
EN300-43120,
Benzene, 1-(bromomethyl)-3-(1-methylethoxy)-,
Benzene,1-(bromomethyl)-3-(1-methylethoxy)-,
|
| Complexity | 125 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number