| CAS Number | 19254-79-6 |
| Catalog Number | AG002G32(AGN-PC-0KY5SP) |
| Chemical Name | 1,3-bis(bromomethyl)-5-methoxybenzene |
| IUPAC Name | 1,3-bis(bromomethyl)-5-methoxybenzene |
| InChI | InChI=1S/C9H10Br2O/c1-12-9-3-7(5-10)2-8(4-9)6-11/h2-4H,5-6H2,1H3 |
| InChI Key | XXPXGGWQRLEFSK-UHFFFAOYSA-N |
| MDL Number | MFCD00229442 |
| Molecular Formula | C9H10Br2O |
| Molecular Weight | 293.9831 |
| SMILES | BrCC1=CC(=CC(=C1)OC)CBr |
| Synonyms | 1,3-bis(bromomethyl)-5-methoxybenzene,
19254-79-6,
Benzene, 1,3-bis(bromomethyl)-5-methoxy-,
1,3-bis-bromomethyl-5-methoxy-benzene,
AC1MU5K9,
3,5-bis(bromomethyl)anisole,
SCHEMBL1742765,
XXPXGGWQRLEFSK-UHFFFAOYSA-N,
ZINC3132401,
AKOS024332007,
MCULE-3635882364,
FT-0729049,
CID3660727,
1,3-bis(bromomethyl)-5-methoxy-benzene,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.986g/mol |
| Monoisotopic Mass | 291.91g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number