| CAS Number | 17746-75-7 |
| Catalog Number | AG0025BX(AGN-PC-0NJC1X) |
| Chemical Name | Benzoic acid, 3-bromo-2-hydroxy-5-methyl- |
| IUPAC Name | 3-bromo-2-hydroxy-5-methylbenzoic acid |
| InChI | InChI=1S/C8H7BrO3/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12) |
| InChI Key | POGDQQPHOPNJFP-UHFFFAOYSA-N |
| MDL Number | MFCD11203648 |
| Molecular Formula | C8H7BrO3 |
| Molecular Weight | 231.0434 |
| SMILES | c1c(cc(c(c1C(=O)O)O)Br)C |
| Synonyms | 3-bromo-2-hydroxy-5-methylbenzoic acid,
17746-75-7,
Benzoic acid, 3-bromo-2-hydroxy-5-methyl-,
bromo-p-cresotic acid,
AC1Q2HR4,
SCHEMBL5940900,
CTK0E3610,
DTXSID60501806,
POGDQQPHOPNJFP-UHFFFAOYSA-N,
ZINC20593726,
AKOS005150552,
MCULE-4964515736,
NE49776,
EN300-49649,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.045g/mol |
| Monoisotopic Mass | 229.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number