3-Fluoro-5-nitrotoluene - CAS 499-08-1
Catalog: |
BB026857 |
Product Name: |
3-Fluoro-5-nitrotoluene |
CAS: |
499-08-1 |
Synonyms: |
1-fluoro-3-methyl-5-nitrobenzene; 1-fluoro-3-methyl-5-nitrobenzene |
IUPAC Name: | 1-fluoro-3-methyl-5-nitrobenzene |
Description: | 3-Fluoro-5-nitrotoluene (CAS# 499-08-1) is a useful research chemical. |
Molecular Weight: | 155.13 |
Molecular Formula: | C7H6FNO2 |
Canonical SMILES: | CC1=CC(=CC(=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6FNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3 |
InChI Key: | IPMURRZVEWZEPP-UHFFFAOYSA-N |
Boiling Point: | 229.975 ℃ at 760 mmHg |
Density: | 1.274 g/cm3 |
MDL: | MFCD06797943 |
LogP: | 2.56550 |
Publication Number | Title | Priority Date |
WO-2021026100-A1 | Pyridine derivatives as kif18a inhibitors | 20190802 |
CN-110229162-A | A kind of simple and convenient process for preparing of Rui Kapabu | 20180305 |
WO-2019154177-A1 | Pyrimidine compound, preparation method thereof and medical use thereof | 20180212 |
US-2017273922-A1 | Urea and bis-urea based compounds and analogues thereof useful in the treatment of androgen receptor mediated diseases or disorders | 20141003 |
CN-105960400-B | Sulfamoylthiophene amide derivatives and its purposes for being used to treat hepatitis B as drug | 20130517 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0382566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0382566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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