3-Fluoro-5-nitrobenzyl Chloride - CAS 1214344-25-8
Catalog: |
BB005149 |
Product Name: |
3-Fluoro-5-nitrobenzyl Chloride |
CAS: |
1214344-25-8 |
Synonyms: |
1-(chloromethyl)-3-fluoro-5-nitrobenzene; 1-(chloromethyl)-3-fluoro-5-nitrobenzene |
IUPAC Name: | 1-(chloromethyl)-3-fluoro-5-nitrobenzene |
Description: | 3-Fluoro-5-nitrobenzyl Chloride (CAS# 1214344-25-8) is a useful research chemical. |
Molecular Weight: | 189.57 |
Molecular Formula: | C7H5ClFNO2 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])F)CCl |
InChI: | InChI=1S/C7H5ClFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2 |
InChI Key: | RYCSPDIZWBMOTJ-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.99590 |
Publication Number | Title | Priority Date |
CZ-2015444-A3 | Substituted nitrobenzyltetrazole, its use and the pharmaceutical composition containing it | 20150626 |
CZ-307936-B6 | Substituted nitrobenzyltetrazole, its use and pharmaceutical composition containing it | 20150626 |
CA-2964683-A1 | Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfone group | 20141016 |
CA-2964696-A1 | Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfoximine group | 20141016 |
EP-3207037-A1 | Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfone group | 20141016 |
Complexity: | 173 |
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: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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