7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine - CAS 81864-61-1
Catalog: |
BB036716 |
Product Name: |
7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine |
CAS: |
81864-61-1 |
Synonyms: |
N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide; N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide |
IUPAC Name: | N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide |
Description: | 7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine (CAS# 81864-61-1) is a useful research chemical. |
Molecular Weight: | 252.22 |
Molecular Formula: | C11H12N2O5 |
Canonical SMILES: | CC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCCO2 |
InChI: | InChI=1S/C11H12N2O5/c1-7(14)12-8-5-10-11(6-9(8)13(15)16)18-4-2-3-17-10/h5-6H,2-4H2,1H3,(H,12,14) |
InChI Key: | DYQUOBYQMFRMHM-UHFFFAOYSA-N |
LogP: | 2.88720 |
Publication Number | Title | Priority Date |
CA-1134829-A | Imidazole derivatives | 19800821 |
CH-644116-A5 | IMIDAZOLE DERIVATIVES. | 19800821 |
GB-2082580-A | Tricyclic imidazole derivatives | 19800821 |
IE-51507-B1 | Tricyclic imidazole derivatives | 19800821 |
LU-83571-A1 | IMIDAZOLE DERIVATIVES | 19800821 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.07462149 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.07462149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 93.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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