| CAS Number | 944904-60-3 |
| Catalog Number | AG00II9Y(AGN-PC-0WCRX8) |
| Chemical Name | 5-bromo-2-(trifluoromethyl)pyridine-4-carbaldehyde |
| IUPAC Name | 5-bromo-2-(trifluoromethyl)pyridine-4-carbaldehyde |
| InChI | InChI=1S/C7H3BrF3NO/c8-5-2-12-6(7(9,10)11)1-4(5)3-13/h1-3H |
| InChI Key | XCBNWMWTBYJFKY-UHFFFAOYSA-N |
| MDL Number | MFCD10696239 |
| Molecular Formula | C7H3BrF3NO |
| Molecular Weight | 254.0040 |
| SMILES | O=CC1=C(Br)C=NC(C(F)(F)F)=C1 |
| Synonyms | 5-bromo-2-(trifluoromethyl)isonicotinaldehyde,
944904-60-3,
5-bromo-2-(trifluoromethyl)pyridine-4-carbaldehyde,
SCHEMBL14889731,
DTXSID90745074,
XCBNWMWTBYJFKY-UHFFFAOYSA-N,
ZINC91366363,
AKOS016845247,
AB56841,
FCH1400890,
RL05953,
DA-00470,
AJ-131625,
AX8253397,
4CH-004992,
C-0520,
J-516858,
5-Bromo-2-(trifluoromethyl)isonicotinaldehyde, AldrichCPR,
5-BROMO-2-(TRIFLUOROMETHYL)-4-PYRIDINECARBOXALDEHYDE,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.006g/mol |
| Monoisotopic Mass | 252.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number