| CAS Number | 90326-61-7 |
| Catalog Number | AG00IG3M(AGN-PC-01ZSKK) |
| Chemical Name | Benzoic acid, 5-bromo-2-methoxy-4-methyl- |
| IUPAC Name | 5-bromo-2-methoxy-4-methylbenzoic acid |
| InChI | InChI=1S/C9H9BrO3/c1-5-3-8(13-2)6(9(11)12)4-7(5)10/h3-4H,1-2H3,(H,11,12) |
| InChI Key | JQSRUIYBQNPWQR-UHFFFAOYSA-N |
| MDL Number | MFCD21234732 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | O=C(O)C1=CC(Br)=C(C)C=C1OC |
| Synonyms | 5-Bromo-2-methoxy-4-methylbenzoic acid,
90326-61-7,
Benzoic acid, 5-bromo-2-methoxy-4-methyl-,
SCHEMBL1919374,
DTXSID20595589,
JQSRUIYBQNPWQR-UHFFFAOYSA-N,
5032AC,
MFCD21234732,
ZINC60115269,
AKOS014776007,
AK120107,
AJ-113861,
Z2044769611,
C9H9BrO3,
5-Bromo-2-methoxy-4-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
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Certificate of Analysis
Lot Number