| CAS Number | 866596-42-1 |
| Catalog Number | AG00H3M3(AGN-PC-06GJQH) |
| Chemical Name | 1-(Bromomethyl)-3-propoxybenzene |
| IUPAC Name | 1-(bromomethyl)-3-propoxybenzene |
| InChI | InChI=1S/C10H13BrO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8H2,1H3 |
| InChI Key | NFPORVUOPCEKIU-UHFFFAOYSA-N |
| MDL Number | MFCD11103172 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | CCCOC1=CC(CBr)=CC=C1 |
| Synonyms | 1-(Bromomethyl)-3-propoxybenzene,
866596-42-1,
SCHEMBL2932600,
ZINC34961821,
Benzene, 1-(bromomethyl)-3-propoxy-,
FT-0716042,
Y6442,
C10H13BrO,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number