| CAS Number | 26726-81-8 |
| Catalog Number | AG00I520(AGN-PC-0LTCQX) |
| Chemical Name | Benzene, 1,2-bis(bromomethyl)-4,5-dimethoxy- |
| IUPAC Name | 1,2-bis(bromomethyl)-4,5-dimethoxybenzene |
| InChI | InChI=1S/C10H12Br2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,5-6H2,1-2H3 |
| InChI Key | ARGOTHVUUGQGPD-UHFFFAOYSA-N |
| MDL Number | MFCD18084283 |
| Molecular Formula | C10H12Br2O2 |
| Molecular Weight | 324.0091 |
| SMILES | BrCC1=CC(OC)=C(OC)C=C1CBr |
| Synonyms | 1,2-Bis(bromomethyl)-4,5-dimethoxybenzene,
26726-81-8,
Benzene, 1,2-bis(bromomethyl)-4,5-dimethoxy-,
ARGOTHVUUGQGPD-UHFFFAOYSA-N,
AC1O4ZTY,
SCHEMBL3884189,
DTXSID70423707,
MFCD18084283,
ZINC97972242,
AS-42207,
FT-0718981,
CID6424516,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.012g/mol |
| Monoisotopic Mass | 321.92g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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