N-(5-Chloro-4-methyl-2-nitrophenyl)acetamide - CAS 7149-78-2
Catalog: |
BB034404 |
Product Name: |
N-(5-Chloro-4-methyl-2-nitrophenyl)acetamide |
CAS: |
7149-78-2 |
Synonyms: |
N-(5-chloro-4-methyl-2-nitrophenyl)acetamide; N-(5-chloro-4-methyl-2-nitrophenyl)acetamide |
IUPAC Name: | N-(5-chloro-4-methyl-2-nitrophenyl)acetamide |
Description: | N-(5-Chloro-4-methyl-2-nitrophenyl)acetamide (CAS# 7149-78-2) is a useful research chemical. |
Molecular Weight: | 228.63 |
Molecular Formula: | C9H9ClN2O3 |
Canonical SMILES: | CC1=CC(=C(C=C1Cl)NC(=O)C)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9ClN2O3/c1-5-3-9(12(14)15)8(4-7(5)10)11-6(2)13/h3-4H,1-2H3,(H,11,13) |
InChI Key: | KEELZFXRQAZCJA-UHFFFAOYSA-N |
Boiling Point: | 410.4 ℃ at 760 mmHg |
Density: | 1.406 g/cm3 |
MDL: | MFCD00034545 |
LogP: | 3.11120 |
Publication Number | Title | Priority Date |
WO-2011023812-A1 | Microsomal prostaglandin e synthase-1 (mpges1) inhibitors | 20090827 |
AU-2009282478-A1 | Flavin derivatives | 20080811 |
CA-2731946-A1 | Flavin derivatives | 20080811 |
CN-102176825-A | Flavin derivatives | 20080811 |
EP-2320734-A1 | Flavin derivatives | 20080811 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0301698 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0301698 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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