| CAS Number | 411229-86-2 |
| Catalog Number | AG01DWF2(AGN-PC-03PS4P) |
| Chemical Name | 1-(Bromomethyl)-3-(cyclopropylmethoxy)benzene |
| IUPAC Name | 1-(bromomethyl)-3-(cyclopropylmethoxy)benzene |
| InChI | InChI=1S/C11H13BrO/c12-7-10-2-1-3-11(6-10)13-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2 |
| InChI Key | HYOWMVLUILREMH-UHFFFAOYSA-N |
| MDL Number | MFCD12024413 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | BrCC1=CC(OCC2CC2)=CC=C1 |
| Synonyms | 1-(bromomethyl)-3-(cyclopropylmethoxy)benzene,
411229-86-2,
SCHEMBL6851212,
DTXSID80627532,
ZINC32914715,
AKOS009592361,
FT-0658652,
A825443,
S01-0061,
|
| Complexity | 156 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number