5-Ethoxy-2-nitrobenzamide - CAS 1420800-21-0
Catalog: |
BB066076 |
Product Name: |
5-Ethoxy-2-nitrobenzamide |
CAS: |
1420800-21-0 |
Synonyms: |
5-Ethoxy-2-nitrobenzamide |
IUPAC Name: | 5-ethoxy-2-nitrobenzamide |
Description: | 5-Ethoxy-2-nitrobenzamide |
Molecular Weight: | 210.19 |
Molecular Formula: | C9H10N2O4 |
Canonical SMILES: | CCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N |
InChI: | InChI=1S/C9H10N2O4/c1-2-15-6-3-4-8(11(13)14)7(5-6)9(10)12/h3-5H,2H2,1H3,(H2,10,12) |
InChI Key: | BPKZNMWFVAMQFH-UHFFFAOYSA-N |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0640568 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 98.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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