| CAS Number | 655-00-5 |
| Catalog Number | AG00EL6P(AGN-PC-0WD5BN) |
| Chemical Name | 5-Iodo-2-(trifluoromethyl)benzoic acid |
| IUPAC Name | 5-iodo-2-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H4F3IO2/c9-8(10,11)6-2-1-4(12)3-5(6)7(13)14/h1-3H,(H,13,14) |
| InChI Key | YCXYILXKMVBHHE-UHFFFAOYSA-N |
| MDL Number | MFCD18398158 |
| Molecular Formula | C8H4F3IO2 |
| Molecular Weight | 316.0158 |
| SMILES | O=C(O)C1=CC(I)=CC=C1C(F)(F)F |
| Synonyms | 5-Iodo-2-(trifluoromethyl)benzoic acid,
655-00-5,
MFCD18398158,
ZINC98178486,
AKOS022188297,
FCH1372460,
AS-46420,
AJ-139592,
AX8285752,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.018g/mol |
| Monoisotopic Mass | 315.921g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P264-P270-P301+P312-P330
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UN Code
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Certificate of Analysis
Lot Number