4-Bromo-2-fluoro-5-nitrotoluene - CAS 1345471-69-3
Catalog: |
BB007957 |
Product Name: |
4-Bromo-2-fluoro-5-nitrotoluene |
CAS: |
1345471-69-3 |
Synonyms: |
1-bromo-5-fluoro-4-methyl-2-nitrobenzene; 1-bromo-5-fluoro-4-methyl-2-nitrobenzene |
IUPAC Name: | 1-bromo-5-fluoro-4-methyl-2-nitrobenzene |
Description: | 4-Bromo-2-fluoro-5-nitrotoluene (CAS# 1345471-69-3) is a useful research chemical. |
Molecular Weight: | 234.02 |
Molecular Formula: | C7H5BrFNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1F)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5BrFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3 |
InChI Key: | TVQLPBXVLOYFQS-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.32800 |
Publication Number | Title | Priority Date |
CA-3046709-A1 | Active compound combinations | 20161214 |
CA-3046715-A1 | Phenoxyphenylamidines and the use thereof as fungicides | 20161214 |
EP-3335559-A1 | Active compound combinations | 20161214 |
EP-3554240-A1 | Active compound combinations | 20161214 |
EP-3554241-A2 | Phenoxyphenylamidines and the use thereof as fungicides | 20161214 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.94877 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.94877 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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