| CAS Number | 81395-27-9 |
| Catalog Number | AG01AAII(AGN-PC-005CY7) |
| Chemical Name | 1-((benzyloxy)methyl)-4-bromobenzene |
| IUPAC Name | 1-bromo-4-(phenylmethoxymethyl)benzene |
| InChI | InChI=1S/C14H13BrO/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChI Key | ZXRUEEXLUHVBQW-UHFFFAOYSA-N |
| MDL Number | MFCD14686956 |
| Molecular Formula | C14H13BrO |
| Molecular Weight | 277.1564 |
| SMILES | c1c(ccc(c1)COCc1ccccc1)Br |
| Synonyms | 1-[(benzyloxy)methyl]-4-bromobenzene,
81395-27-9,
AC1Q24VM,
(4-Bromobenzyl)benzyl ether,
SCHEMBL2657770,
ZINC34429810,
AKOS006150163,
MCULE-5965200957,
NE15831,
EN300-68704,
J3.554.077F,
Z1245735254,
1-bromo-4-(phenylmethoxymethyl)benzene,
CID11254408,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.161g/mol |
| Monoisotopic Mass | 276.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number