| CAS Number | 125604-03-7 |
| Catalog Number | AG01A1RA(AGN-PC-0C82S1) |
| Chemical Name | 1-(Bromomethyl)-3-(methoxymethyl)benzene |
| IUPAC Name | 1-(bromomethyl)-3-(methoxymethyl)benzene |
| InChI | InChI=1S/C9H11BrO/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5H,6-7H2,1H3 |
| InChI Key | BMGVAPLBALXXEC-UHFFFAOYSA-N |
| MDL Number | MFCD15523515 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | COCC1=CC(CBr)=CC=C1 |
| Synonyms | 1-(bromomethyl)-3-(methoxymethyl)benzene,
125604-03-7,
3-(Bromomethyl)benzyl methyl ether,
SCHEMBL2567905,
BMGVAPLBALXXEC-UHFFFAOYSA-N,
ZINC82164304,
AKOS014929303,
NE50799,
DA-13439,
SC-57785,
FT-0713910,
Benzene, 1-(bromomethyl)-3-(methoxymethyl)-,
BENZENE,1-(BROMOMETHYL)-3-(METHOXYMETHYL)-,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number