| CAS Number | 618-74-6 |
| Catalog Number | AG00EILZ(AGN-PC-0JRGI1) |
| Chemical Name | 3,4,5-Tribromobenzoic acid |
| IUPAC Name | 3,4,5-tribromobenzoic acid |
| InChI | InChI=1S/C7H3Br3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| InChI Key | UDZOUVAHFWHQEL-UHFFFAOYSA-N |
| MDL Number | MFCD00075794 |
| Molecular Formula | C7H3Br3O2 |
| Molecular Weight | 358.8095 |
| SMILES | OC(=O)c1cc(Br)c(c(c1)Br)Br |
| Synonyms | 3,4,5-Tribromobenzoic acid,
618-74-6,
AC1L9XZX,
3,4,5-Tribomobenzoic acid,
SCHEMBL7122207,
CTK5B3945,
DTXSID30332487,
Benzoic acid, 3,4,5-tribromo-,
UDZOUVAHFWHQEL-UHFFFAOYSA-N,
AIDS018025,
CID458207,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.766g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.811g/mol |
| Monoisotopic Mass | 355.768g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number