| CAS Number | 87808-28-4 |
| Catalog Number | AG00IZRF(AGN-PC-0WB0NK) |
| Chemical Name | Methyl 2-bromo-5-methoxy-4-methylbenzoate |
| IUPAC Name | methyl 2-bromo-5-methoxy-4-methylbenzoate |
| InChI | InChI=1S/C10H11BrO3/c1-6-4-8(11)7(10(12)14-3)5-9(6)13-2/h4-5H,1-3H3 |
| InChI Key | PVSLEQAPQWFIEI-UHFFFAOYSA-N |
| MDL Number | MFCD20921581 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | [Br]C1(=C(C(=O)OC)C=C(OC)C(=C1)C) |
| Synonyms | methyl 2-bromo-5-methoxy-4-methylbenzoate,
87808-28-4,
A1-00460,
SCHEMBL10959195,
PVSLEQAPQWFIEI-UHFFFAOYSA-N,
KS-000027DF,
ZX-RL003178,
MFCD20921581,
ZINC71788987,
AKOS015991488,
FCH1612798,
KF-0079,
MCULE-4501156161,
RP14664,
OR303923,
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| Complexity | 208 |
| 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 | 3 |
| 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
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Certificate of Analysis
Lot Number