| CAS Number | 151038-76-5 |
| Catalog Number | AG00AVK6(AGN-PC-00BES1) |
| Chemical Name | 1-(benzyloxy)-2-bromo-4-chlorobenzene |
| IUPAC Name | 2-bromo-4-chloro-1-phenylmethoxybenzene |
| InChI | InChI=1S/C13H10BrClO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | MUPMHWOWVDUINO-UHFFFAOYSA-N |
| MDL Number | MFCD11870105 |
| Molecular Formula | C13H10BrClO |
| Molecular Weight | 297.5749 |
| SMILES | c1(ccc(c(c1)Br)OCc1ccccc1)Cl |
| Synonyms | 1-(benzyloxy)-2-bromo-4-chlorobenzene,
151038-76-5,
2-bromo-4-chlorobenzyloxybenzene,
SCHEMBL2101145,
MUPMHWOWVDUINO-UHFFFAOYSA-N,
2-Bromo-4-chlorophenylbenzyl ether,
Benzyl 2-bromo-4-chlorophenyl ether,
MFCD11870105,
ZINC35787130,
AKOS027439296,
CID11551125,
2-bromo-4-chloro-1-phenylmethoxy-benzene,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.576g/mol |
| Monoisotopic Mass | 295.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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