| CAS Number | 91687-70-6 |
| Catalog Number | AG01A67L(AGN-PC-0N5BYJ) |
| Chemical Name | Methyl 2-(2-bromoethoxy)benzoate |
| IUPAC Name | methyl 2-(2-bromoethoxy)benzoate |
| InChI | InChI=1S/C10H11BrO3/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,6-7H2,1H3 |
| InChI Key | VMYXWCWZIWWLQV-UHFFFAOYSA-N |
| MDL Number | MFCD02030569 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | COC(C1=C(OCCBr)C=CC=C1)=O |
| Synonyms | Methyl 2-(2-bromoethoxy)benzoate,
91687-70-6,
SCHEMBL2389931,
VMYXWCWZIWWLQV-UHFFFAOYSA-N,
ZINC38955273,
AKOS010993811,
NE18048,
2-(2-bromoethoxy)-benzoic acid methyl ester,
2-[2-Bromoethoxy]benzoic acid, methyl ester,
Benzoic acid, 2-(2-bromoethoxy)-, methyl ester,
CID10491482,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number