2-Chloro-N-(3-fluoro-2-methyl-6-nitrophenyl)acetamide - CAS 952587-03-0
Catalog: |
BB041662 |
Product Name: |
2-Chloro-N-(3-fluoro-2-methyl-6-nitrophenyl)acetamide |
CAS: |
952587-03-0 |
Synonyms: |
2-chloro-N-(3-fluoro-2-methyl-6-nitrophenyl)acetamide; 2-chloro-N-(3-fluoro-2-methyl-6-nitrophenyl)acetamide |
IUPAC Name: | 2-chloro-N-(3-fluoro-2-methyl-6-nitrophenyl)acetamide |
Description: | 2-Chloro-N-(3-fluoro-2-methyl-6-nitrophenyl)acetamide (CAS# 952587-03-0 ) is a useful research chemical. |
Molecular Weight: | 246.62 |
Molecular Formula: | C9H8ClFN2O3 |
Canonical SMILES: | CC1=C(C=CC(=C1NC(=O)CCl)[N+](=O)[O-])F |
InChI: | InChI=1S/C9H8ClFN2O3/c1-5-6(11)2-3-7(13(15)16)9(5)12-8(14)4-10/h2-3H,4H2,1H3,(H,12,14) |
InChI Key: | MDHASBCQZKNWJI-UHFFFAOYSA-N |
LogP: | 2.81580 |
Publication Number | Title | Priority Date |
EP-2041145-A1 | Azatricyclic compounds and their use | 20060703 |
EP-2041145-B1 | Azatricyclic compounds and their use | 20060703 |
JP-2009541456-A | Azatricyclic compounds and uses thereof | 20060703 |
US-2010004230-A1 | Azatricyclic compounds and their use | 20060703 |
WO-2008003690-A1 | Azatricyclic compounds and their use | 20060703 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.020748 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.020748 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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