| CAS Number | 1805937-72-7 |
| Catalog Number | AG00I04H(AGN-PC-0WR1ZB) |
| Chemical Name | 3-Bromo-4-fluoro-5-nitrobenzotrifluoride |
| IUPAC Name | 1-bromo-2-fluoro-3-nitro-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF4NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H |
| InChI Key | SRLDZKXOCHTLHB-UHFFFAOYSA-N |
| MDL Number | MFCD26960584 |
| Molecular Formula | C7H2BrF4NO2 |
| Molecular Weight | 287.9939 |
| SMILES | FC(F)(F)C1=CC([N+]([O-])=O)=C(F)C(Br)=C1 |
| Synonyms | 3-bromo-4-fluoro-5-nitrobenzotrifluoride,
1805937-72-7,
1-Bromo-2-fluoro-3-nitro-5-(trifluoromethyl)benzene,
SCHEMBL20477136,
MFCD26960584,
ZINC238553122,
CM13211,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.996g/mol |
| Monoisotopic Mass | 286.921g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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