| CAS Number | 20871-01-6 |
| Catalog Number | AG002JUK(AGN-PC-040U6L) |
| Chemical Name | 2,5-Dibromo-4-methylbenzoic acid |
| IUPAC Name | 2,5-dibromo-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6Br2O2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12) |
| InChI Key | SQMRPUDOCRCFAO-UHFFFAOYSA-N |
| MDL Number | MFCD10574706 |
| Molecular Formula | C8H6Br2O2 |
| Molecular Weight | 293.9400 |
| SMILES | CC1=C(Br)C=C(C(O)=O)C(Br)=C1 |
| Synonyms | 2,5-DIBROMO-4-METHYLBENZOIC ACID,
20871-01-6,
SCHEMBL2537783,
CTK4E5354,
DTXSID10632639,
SQMRPUDOCRCFAO-UHFFFAOYSA-N,
MFCD10574706,
ZINC14982592,
AKOS017554583,
Benzoic acid, 2,5-dibromo-4-methyl-,
AS-46690,
DB-081898,
FT-0705363,
Z2687203812,
2,5-Dibromo-4-methylbenzoicacid,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.871g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.942g/mol |
| Monoisotopic Mass | 291.873g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number