| CAS Number | 59453-47-3 |
| Catalog Number | AG01FHFC(AGN-PC-0NCVSU) |
| Chemical Name | Methyl 2-bromo-3-methoxybenzoate |
| IUPAC Name | methyl 2-bromo-3-methoxybenzoate |
| InChI | InChI=1S/C9H9BrO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3 |
| InChI Key | JRMOOUWDJRMZGS-UHFFFAOYSA-N |
| MDL Number | MFCD14697991 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | BrC1=C(C(=O)OC)C=CC=C1OC |
| Synonyms | methyl 2-bromo-3-methoxybenzoate,
59453-47-3,
SCHEMBL2430627,
JRMOOUWDJRMZGS-UHFFFAOYSA-N,
MFCD14697991,
ZINC34564874,
AKOS028111966,
FCH1386898,
OR400093,
PS-11493,
FT-0729517,
2-BROMO-3-METHOXYBENZOIC ACID METHYL ESTER,
Methyl 2-bromo-3-methoxy-benzoate,
CID10922803,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.072g/mol |
| Monoisotopic Mass | 243.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number