2,4-Difluoro-5-nitrotoluene - CAS 179011-38-2
Catalog: |
BB013529 |
Product Name: |
2,4-Difluoro-5-nitrotoluene |
CAS: |
179011-38-2 |
Synonyms: |
1,5-difluoro-2-methyl-4-nitrobenzene; 1,5-difluoro-2-methyl-4-nitrobenzene |
IUPAC Name: | 1,5-difluoro-2-methyl-4-nitrobenzene |
Description: | 2,4-Difluoro-5-nitrotoluene (CAS# 179011-38-2) is a useful research chemical. |
Molecular Weight: | 173.12 |
Molecular Formula: | C7H5F2NO2 |
Canonical SMILES: | CC1=CC(=C(C=C1F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5F2NO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3 |
InChI Key: | BVVAZYONIKSNFT-UHFFFAOYSA-N |
LogP: | 2.70460 |
Publication Number | Title | Priority Date |
CN-112851493-A | Preparation method of 2,4, 5-trifluorophenylacetic acid | 20201110 |
CN-113166145-A | Tricyclic compounds for the treatment and prevention of bacterial infections | 20181127 |
WO-2019214634-A1 | Erbb receptor inhibitors | 20180508 |
AU-2019267959-A1 | ErbB receptor inhibitors | 20180508 |
CN-111587248-A | ERBB receptor inhibitors | 20180508 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02883473 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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