| CAS Number | 55289-17-3 |
| Catalog Number | AG00E52C(AGN-PC-02RV7H) |
| Chemical Name | 6-Bromo-3-methoxy-2-methylbenzoic acid |
| IUPAC Name | 6-bromo-3-methoxy-2-methylbenzoic acid |
| InChI | InChI=1S/C9H9BrO3/c1-5-7(13-2)4-3-6(10)8(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | YCCRLMJCFUNZNA-UHFFFAOYSA-N |
| MDL Number | MFCD16658652 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | COC1=C(C)C(C(O)=O)=C(Br)C=C1 |
| Synonyms | 6-bromo-3-methoxy-2-methylbenzoic acid,
55289-17-3,
SCHEMBL6825647,
DTXSID90605124,
YCCRLMJCFUNZNA-UHFFFAOYSA-N,
ZX-RL003168,
5511AE,
MFCD16658652,
ZINC59867797,
AKOS015991511,
FCH1346780,
KF-0014,
MCULE-3840949011,
RP13978,
KS-000027D9,
DA-17407,
OR303908,
FT-0684577,
J-518372,
C9H9BrO3,
|
| 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