| CAS Number | 1022983-50-1 |
| Catalog Number | AG00075D(AGN-PC-0WA8A3) |
| Chemical Name | 3-bromo-5-iodo-2-methyl benzoic acid |
| IUPAC Name | 3-bromo-5-iodo-2-methylbenzoic acid |
| InChI | InChI=1S/C8H6BrIO2/c1-4-6(8(11)12)2-5(10)3-7(4)9/h2-3H,1H3,(H,11,12) |
| InChI Key | JGSFWZGJNRDWDV-UHFFFAOYSA-N |
| MDL Number | MFCD20526668 |
| Molecular Formula | C8H6BrIO2 |
| Molecular Weight | 340.9405 |
| SMILES | CC1=C(C(O)=O)C=C(I)C=C1Br |
| Synonyms | 3-bromo-5-iodo-2-methylbenzoic acid,
1022983-50-1,
3-bromo-5-iodo-2-methyl benzoic acid,
3-Bromo-5-iodo-2-methyl-benzoic acid,
SCHEMBL1252953,
DTXSID40731422,
JGSFWZGJNRDWDV-UHFFFAOYSA-N,
RW4028,
ZINC93097628,
AKOS017974864,
QC-3676,
Benzoic acid, 3-bromo-5-iodo-2-methyl-,
X6547,
Z2044769317,
C8H6BrIO2,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.942g/mol |
| Monoisotopic Mass | 339.86g/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