| CAS Number | 1257664-96-2 |
| Catalog Number | AG000OOE(AGN-PC-09PZIB) |
| Chemical Name | 1-Bromo-4-chloro-2-(tetrahydropyran-2-ylmethoxy)benzene |
| IUPAC Name | 2-[(2-bromo-5-chlorophenoxy)methyl]oxane |
| InChI | InChI=1S/C12H14BrClO2/c13-11-5-4-9(14)7-12(11)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8H2 |
| InChI Key | WGTJEZOCAJITEH-UHFFFAOYSA-N |
| MDL Number | MFCD18087724 |
| Molecular Formula | C12H14BrClO2 |
| Molecular Weight | 305.5954 |
| SMILES | Clc1ccc(c(c1)OCC1CCCCO1)Br |
| Synonyms | 1257664-96-2,
1-Bromo-4-chloro-2-(tetrahydropyran-2-ylmethoxy)benzene,
2-((2-Bromo-5-chlorophenoxy)methyl)tetrahydro-2H-pyran,
2-[(2-bromo-5-chlorophenoxy)methyl]oxane,
C12H14BrClO2,
ACMC-209b0b,
CTK4B4778,
DTXSID70682175,
ANW-18537,
MFCD18087724,
AKOS015835255,
AX8240432,
TR-035502,
Z8985,
B-2390,
I01-10780,
2H-Pyran, 2-[(2-bromo-5-chlorophenoxy)methyl]tetrahydro-,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.596g/mol |
| Monoisotopic Mass | 303.987g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number