| CAS Number | 887268-16-8 |
| Catalog Number | AG00GRYS |
| Chemical Name | 2-bromo-3,5-bis(trifluoromethyl)phenol |
| IUPAC Name | 2-bromo-3,5-bis(trifluoromethyl)phenol |
| InChI | InChI=1S/C8H3BrF6O/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2,16H |
| InChI Key | VVNRKEGWEHWYQJ-UHFFFAOYSA-N |
| MDL Number | MFCD07777118 |
| Molecular Formula | C8H3BrF6O |
| Molecular Weight | 309.0032 |
| SMILES | BrC1=C(C=C(C(F)(F)F)C=C1C(F)(F)F)O |
| Synonyms | 2-bromo-3,5-bis(trifluoromethyl)phenol,
887268-16-8,
2-Bromo-3,5-bis-trifluoromethyl-phenol,
CTK7J8437,
ZX-AP005303,
MFCD07777118,
PC2302,
ZINC15442330,
3,5-Bis(trifluoromethyl)-2-bromophenol,
AS-46261,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.005g/mol |
| Monoisotopic Mass | 307.927g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number