| CAS Number | 568558-21-4 |
| Catalog Number | AG00IA50(AGN-PC-0WP1TL) |
| Chemical Name | Methyl 3-Bromo-4-ethoxy-5-methoxybenzoate |
| IUPAC Name | methyl 3-bromo-4-ethoxy-5-methoxybenzoate |
| InChI | InChI=1S/C11H13BrO4/c1-4-16-10-8(12)5-7(11(13)15-3)6-9(10)14-2/h5-6H,4H2,1-3H3 |
| InChI Key | YYMGDXPTXPFGHO-UHFFFAOYSA-N |
| MDL Number | MFCD03985189 |
| Molecular Formula | C11H13BrO4 |
| Molecular Weight | 289.1225 |
| SMILES | CCOC1=C(OC)C=C(C(OC)=O)C=C1Br |
| Synonyms | methyl 3-bromo-4-ethoxy-5-methoxybenzoate,
568558-21-4,
3-Bromo-4-ethoxy-5-methoxy-benzoic acid methyl ester,
AC1M7DCU,
AC1Q35VJ,
CTK6G0112,
ZINC3324538,
AKOS000116527,
MB03059,
MCULE-4519556584,
NE51940,
EN300-05956,
Methyl 3-bromo-4-ethoxy-5-methoxybenzoateMatch2,
SR-01000043375,
SR-01000043375-1,
Z24889283,
ZINC03324538,
CID2440029,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.125g/mol |
| Monoisotopic Mass | 288g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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