| CAS Number | 148255-19-0 |
| Catalog Number | AG00HXMH(AGN-PC-0JXNFL) |
| Chemical Name | Methyl 3-((3-bromophenoxy)methyl)benzoate |
| IUPAC Name | methyl 3-[(3-bromophenoxy)methyl]benzoate |
| InChI | InChI=1S/C15H13BrO3/c1-18-15(17)12-5-2-4-11(8-12)10-19-14-7-3-6-13(16)9-14/h2-9H,10H2,1H3 |
| InChI Key | NAMBLMWCKIDIKS-UHFFFAOYSA-N |
| MDL Number | MFCD03290349 |
| Molecular Formula | C15H13BrO3 |
| Molecular Weight | 321.1659 |
| SMILES | COC(=O)c1cccc(c1)COc1cccc(c1)Br |
| Synonyms | Methyl 3-((3-bromophenoxy)methyl)benzoate,
148255-19-0,
methyl 3-[(3-bromophenoxy)methyl]benzoate,
AC1LHNP8,
SCHEMBL9368832,
ZINC465163,
MFCD03290349,
STK825444,
AKOS005608408,
MCULE-9784549733,
SR-01000261872,
SR-01000261872-1,
C15H13BrO3,
CID890241,
ZINC00465163,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.17g/mol |
| Monoisotopic Mass | 320.005g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number