| CAS Number | 1289057-68-6 |
| Catalog Number | AG000YHR(AGN-PC-0WCXZC) |
| Chemical Name | Benzaldehyde, 3-bromo-2-(trifluoromethyl)- |
| IUPAC Name | 3-bromo-2-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H4BrF3O/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-4H |
| InChI Key | GNJZENBMBWRNAY-UHFFFAOYSA-N |
| MDL Number | MFCD22566297 |
| Molecular Formula | C8H4BrF3O |
| Molecular Weight | 253.0160 |
| SMILES | C(F)(F)(F)C1C(=CC=CC=1C=O)Br |
| Synonyms | 3-Bromo-2-(trifluoromethyl)benzaldehyde,
1289057-68-6,
DTXSID70735317,
MFCD22566297,
ZINC85652799,
FCH2289948,
PS-11520,
AX8264255,
Benzaldehyde, 3-bromo-2-(trifluoromethyl)-,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.018g/mol |
| Monoisotopic Mass | 251.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^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-H319-H335
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Packing Group
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Precautionary statements
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P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number