Ethyl 4,5-Difluoro-2-nitrobenzoate - CAS 1214387-06-0
Catalog: |
BB005167 |
Product Name: |
Ethyl 4,5-Difluoro-2-nitrobenzoate |
CAS: |
1214387-06-0 |
Synonyms: |
4,5-difluoro-2-nitrobenzoic acid ethyl ester; ethyl 4,5-difluoro-2-nitrobenzoate |
IUPAC Name: | ethyl 4,5-difluoro-2-nitrobenzoate |
Description: | Ethyl 4,5-Difluoro-2-nitrobenzoate (CAS# 1214387-06-0) is a useful research chemical. |
Molecular Weight: | 231.15 |
Molecular Formula: | C9H7F2NO4 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])F)F |
InChI: | InChI=1S/C9H7F2NO4/c1-2-16-9(13)5-3-6(10)7(11)4-8(5)12(14)15/h3-4H,2H2,1H3 |
InChI Key: | CWBDZGOBRZAYMQ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.57290 |
Publication Number | Title | Priority Date |
AU-2010233594-A1 | Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof | 20090409 |
AU-2010233594-B2 | Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof | 20090409 |
CA-2758233-A1 | Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof | 20090409 |
EA-021765-B1 | HINAZOLINDION DERIVATIVES, THEIR RECEIVING AND THEIR DIFFERENT THERAPEUTIC APPLICATIONS | 20090409 |
EP-2417130-A2 | Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof | 20090409 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.03431403 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.03431403 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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