| CAS Number | 1114809-17-4 |
| Catalog Number | AG007SVM(AGN-PC-0WNPNI) |
| Chemical Name | 2-Bromo-6-(trifluoromethoxy)benzaldehyde |
| IUPAC Name | 2-bromo-6-(trifluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C8H4BrF3O2/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-4H |
| InChI Key | DMQSWMRWBJCGFH-UHFFFAOYSA-N |
| MDL Number | MFCD11856022 |
| Molecular Formula | C8H4BrF3O2 |
| Molecular Weight | 269.0154 |
| SMILES | O=CC1=C(OC(F)(F)F)C=CC=C1Br |
| Synonyms | 2-Bromo-6-(trifluoromethoxy)benzaldehyde,
1114809-17-4,
ACMC-20999t,
CTK8A9245,
DTXSID00742670,
ANW-16287,
MFCD11856022,
ZINC85471783,
AKOS022181381,
FCH1406912,
AK-61467,
CJ-22336,
AJ-127817,
TC-105032,
ST24040173,
Y3677,
B-6451,
C8H4BrF3O2,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.017g/mol |
| Monoisotopic Mass | 267.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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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