| CAS Number | 7477-50-1 |
| Catalog Number | AG019WBL(AGN-PC-0JMFXI) |
| Chemical Name | 2-Bromo-1-(chloromethyl)-3,4-dimethoxybenzene |
| IUPAC Name | 2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene |
| InChI | InChI=1S/C9H10BrClO2/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4H,5H2,1-2H3 |
| InChI Key | CKEFWNYZWWCHCG-UHFFFAOYSA-N |
| MDL Number | MFCD12912953 |
| Molecular Formula | C9H10BrClO2 |
| Molecular Weight | 265.5315 |
| NSC Number | 400850 |
| SMILES | COC1=C(OC)C(Br)=C(CCl)C=C1 |
| Synonyms | 2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene,
7477-50-1,
2-bromo-1-chloromethyl-3,4-dimethoxy-benzene,
NSC400850,
AC1L7ZUN,
SCHEMBL194960,
AC1Q46F2,
CTK6J4591,
DTXSID90322288,
ZINC1593642,
NE34796,
NSC-400850,
EN300-51343,
CID344124,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.531g/mol |
| Monoisotopic Mass | 263.955g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number