| CAS Number | 697762-67-7 |
| Catalog Number | AG00FHHQ(AGN-PC-0CL4LS) |
| Chemical Name | METHYL 2-CHLORO-3-METHOXY-5-BROMOBENZOATE |
| IUPAC Name | methyl 5-bromo-2-chloro-3-methoxybenzoate |
| InChI | InChI=1S/C9H8BrClO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,1-2H3 |
| InChI Key | IEMDCTKBMXAVHF-UHFFFAOYSA-N |
| MDL Number | MFCD29919371 |
| Molecular Formula | C9H8BrClO3 |
| Molecular Weight | 279.5150 |
| SMILES | BrC=1C=C(C(=C(C(=O)OC)C1)Cl)OC |
| Synonyms | Methyl 5-bromo-2-chloro-3-methoxybenzoate,
697762-67-7,
SCHEMBL11948617,
IEMDCTKBMXAVHF-UHFFFAOYSA-N,
AKOS027325571,
Methyl 2-chloro-3-methoxy-5-bromobenzoate,
Benzoic acid, 5-bromo-2-chloro-3-methoxy-, methyl ester,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.514g/mol |
| Monoisotopic Mass | 277.935g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number