| CAS Number | 681467-88-9 |
| Catalog Number | AG01C3D0(AGN-PC-0KKJ34) |
| Chemical Name | 3-Bromo-2-methoxy-6-methylbenzoic acid |
| IUPAC Name | 3-bromo-2-methoxy-6-methylbenzoic acid |
| InChI | InChI=1S/C9H9BrO3/c1-5-3-4-6(10)8(13-2)7(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | APOARSSCSJLLOD-UHFFFAOYSA-N |
| MDL Number | MFCD01846085 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | BrC=1C(=C(C(=O)O)C(=CC1)C)OC |
| Synonyms | 3-bromo-2-methoxy-6-methylbenzoic acid,
681467-88-9,
AC1MBMCB,
SCHEMBL1648260,
ZINC3848135,
AKOS004907984,
EN001458,
Z1269145581,
CID2752993,
3-bromo-2-methoxy-6-methyl-benzoic Acid,
|
| Complexity | 195 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.072g/mol |
| Monoisotopic Mass | 243.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number