| CAS Number | 1000339-54-7 |
| Catalog Number | AG0000C8(AGN-PC-02MPA2) |
| Chemical Name | 2-Methoxy-3-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 2-methoxy-3-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C9H7F3O2/c1-14-8-6(5-13)3-2-4-7(8)9(10,11)12/h2-5H,1H3 |
| InChI Key | XBRULUWQNDWLMN-UHFFFAOYSA-N |
| MDL Number | MFCD08741399 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | COC1=C(C=CC=C1C=O)C(F)(F)F |
| Synonyms | 2-Methoxy-3-(trifluoromethyl)benzaldehyde,
1000339-54-7,
MFCD08741399,
CTK7H9948,
DTXSID60602589,
ZX-AP005407,
PC3594,
SBB093251,
ZINC16158949,
AKOS015956974,
FCH1325818,
QC-8375,
AJ-68601,
AS-36833,
AX8258101,
Benzaldehyde, 2-methoxy-3-(trifluoromethyl)-,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.148g/mol |
| Monoisotopic Mass | 204.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number