| CAS Number | 111758-64-6 |
| Catalog Number | AG00HC6O(AGN-PC-00O5AZ) |
| Chemical Name | 2-(3-Bromophenoxy)-acetic acid methyl ester |
| IUPAC Name | methyl 2-(3-bromophenoxy)acetate |
| InChI | InChI=1S/C9H9BrO3/c1-12-9(11)6-13-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3 |
| InChI Key | MYPHYUYCJZVEDV-UHFFFAOYSA-N |
| MDL Number | MFCD00461100 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | O=C(OC)COC1=CC=CC(Br)=C1 |
| Synonyms | 111758-64-6,
Methyl 2-(3-bromophenoxy)acetate,
2-(3-Bromophenoxy)-acetic acid methyl ester,
Acetic acid, 2-(3-bromophenoxy)-, methyl ester,
methyl 3-bromophenoxyacetate,
SCHEMBL2909364,
MYPHYUYCJZVEDV-UHFFFAOYSA-N,
ZINC20297404,
AKOS008904037,
DA-33233,
FT-0741916,
Acetic acid, (3-bromophenoxy)-, methyl ester,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.97351g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.07g/mol |
| Monoisotopic Mass | 243.97351g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number