| CAS Number | 1036479-52-3 |
| Catalog Number | AG01C008 |
| Chemical Name | 1-bromo-2-((2-methylbenzyl)oxy)benzene |
| IUPAC Name | 1-bromo-2-[(2-methylphenyl)methoxy]benzene |
| InChI | InChI=1S/C14H13BrO/c1-11-6-2-3-7-12(11)10-16-14-9-5-4-8-13(14)15/h2-9H,10H2,1H3 |
| InChI Key | MNAKLCXGEKAQMN-UHFFFAOYSA-N |
| MDL Number | MFCD07782688 |
| Molecular Formula | C14H13BrO |
| Molecular Weight | 277.1564 |
| SMILES | CC1=C(COC2=C(Br)C=CC=C2)C=CC=C1 |
| Synonyms | 1036479-52-3,
1-Bromo-2-((2-methylbenzyl)oxy)benzene,
1-[(2-bromophenoxy)methyl]-2-methylbenzene,
2-Bromophenyl-(2-methylbenzyl)ether,
ZINC19991327,
AKOS008912484,
BC4112956,
Z26286149,
|
| Complexity | 207 |
| 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 | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number