4-Chloro-5-fluoro-2-nitrotoluene - CAS 118664-99-6
Catalog: |
BB004198 |
Product Name: |
4-Chloro-5-fluoro-2-nitrotoluene |
CAS: |
118664-99-6 |
Synonyms: |
1-chloro-2-fluoro-4-methyl-5-nitrobenzene; 1-chloro-2-fluoro-4-methyl-5-nitrobenzene |
IUPAC Name: | 1-chloro-2-fluoro-4-methyl-5-nitrobenzene |
Description: | 4-Chloro-5-fluoro-2-nitrotoluene (CAS# 118664-99-6) is a useful research chemical. |
Molecular Weight: | 189.57 |
Molecular Formula: | C7H5ClFNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1[N+](=O)[O-])Cl)F |
InChI: | InChI=1S/C7H5ClFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3 |
InChI Key: | WZEMBGOGKOKTDW-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.21890 |
Publication Number | Title | Priority Date |
WO-2021175200-A1 | Ferroptosis inhibitorsâ€"diarylamine para-acetamides | 20200302 |
TW-202007687-A | Further substituted triazolo quinoxaline derivatives | 20180720 |
US-2020024281-A1 | Further substituted triazolo quinoxaline derivatives | 20180720 |
WO-2020016452-A1 | Further substituted triazolo quinoxaline derivatives | 20180720 |
KR-20210034632-A | Further substituted triazoloquinoxaline derivatives | 20180720 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.9992843 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.9992843 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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