| CAS Number | 1038595-51-5 |
| Catalog Number | AG019X9U(AGN-PC-0WOLD3) |
| Chemical Name | 4-Bromo-2-(propan-2-yloxy)benzoic acid |
| IUPAC Name | 4-bromo-2-propan-2-yloxybenzoic acid |
| InChI | InChI=1S/C10H11BrO3/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H,12,13) |
| InChI Key | OGUXMLVVIGHPIN-UHFFFAOYSA-N |
| MDL Number | MFCD11651855 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | C(=O)(O)c1c(OC(C)C)cc(cc1)Br |
| Synonyms | 4-bromo-2-(propan-2-yloxy)benzoic acid,
1038595-51-5,
AC1Q1QLP,
Benzoic acid, 4-bromo-2-(1-methylethoxy)-,
SCHEMBL20242123,
CTK6B0680,
4-Bromo-2-isopropoxybenzoic acid,
MFCD11651855,
ZINC37475182,
AKOS008127726,
MCULE-5640942054,
NE31061,
NCGC00337132-01,
EN300-54443,
AB01331113-02,
A1-06805,
Z818727138,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number