| CAS Number | 1132942-88-1 |
| Catalog Number | AG003AHV(AGN-PC-0WCMRF) |
| Chemical Name | 4-IODO-2-(TRIFLUOROMETHYL)PHENOL |
| IUPAC Name | 4-iodo-2-(trifluoromethyl)phenol |
| InChI | InChI=1S/C7H4F3IO/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3,12H |
| InChI Key | MHXCSGNJJHAYTN-UHFFFAOYSA-N |
| MDL Number | MFCD16251617 |
| Molecular Formula | C7H4F3IO |
| Molecular Weight | 288.0057 |
| SMILES | IC1=CC(=C(C=C1)O)C(F)(F)F |
| Synonyms | 4-iodo-2-(trifluoromethyl)phenol,
1132942-88-1,
Phenol, 4-iodo-2-(trifluoromethyl)-,
SCHEMBL896283,
4-Iodo-2-trifluoromethylphenol,
AMBZ0295,
DTXSID40693495,
MHXCSGNJJHAYTN-UHFFFAOYSA-N,
CI-413,
FC0964,
MFCD16251617,
ZINC95080322,
AKOS027420903,
AM85484,
MB14861,
QC-8367,
AS-48141,
SC-65852,
4CH-000198,
2-(trifluoromethyl)-4-iodophenol,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.008g/mol |
| Monoisotopic Mass | 287.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number