2,4-Dichloro-N-(5-nitro-2-thiazolyl)benzamide - CAS 69819-40-5
Catalog: |
BB033984 |
Product Name: |
2,4-Dichloro-N-(5-nitro-2-thiazolyl)benzamide |
CAS: |
69819-40-5 |
Synonyms: |
2,4-dichloro-N-(5-nitro-2-thiazolyl)benzamide; 2,4-dichloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide |
IUPAC Name: | 2,4-dichloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide |
Description: | 2,4-Dichloro-N-(5-nitro-2-thiazolyl)benzamide (CAS# 69819-40-5 ) is a useful research chemical. |
Molecular Weight: | 318.14 |
Molecular Formula: | C10H5Cl2N3O3S |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=NC=C(S2)[N+](=O)[O-] |
InChI: | InChI=1S/C10H5Cl2N3O3S/c11-5-1-2-6(7(12)3-5)9(16)14-10-13-4-8(19-10)15(17)18/h1-4H,(H,13,14,16) |
InChI Key: | BIWKBRGZFWTUPZ-UHFFFAOYSA-N |
LogP: | 4.20660 |
Complexity: | 368 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 316.9428676000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.9428676000001 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 116 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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