| CAS Number | 875245-69-5 |
| Catalog Number | AG00IENR(AGN-PC-0WQXIH) |
| Chemical Name | 5-Bromo-4-methoxy-2-methylbenzoic acid |
| IUPAC Name | 5-bromo-4-methoxy-2-methylbenzoic acid |
| InChI | InChI=1S/C9H9BrO3/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | ZCAQDNLMTZJPKO-UHFFFAOYSA-N |
| MDL Number | MFCD11044844 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | CC1=CC(=C(C=C1C(=O)O)Br)OC |
| Synonyms | 5-bromo-4-methoxy-2-methylbenzoic acid,
875245-69-5,
SCHEMBL1539191,
ZCAQDNLMTZJPKO-UHFFFAOYSA-N,
MFCD11044844,
AKOS023789329,
ZINC116467697,
AS07025,
FCH1401899,
2-Methyl-4-methoxy-5-bromobenzoic acid,
AS-43925,
OR345438,
J3.552.665J,
5-BROMO-4-METHOXY-2-METHYLBENZOICACID,
|
| 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