Ethyl 4-Ethoxy-3-nitrobenzoate - CAS 937625-32-6
Catalog: |
BB065722 |
Product Name: |
Ethyl 4-Ethoxy-3-nitrobenzoate |
CAS: |
937625-32-6 |
Synonyms: |
Ethyl 4-Ethoxy-3-nitrobenzoate; 4-Ethoxy-3-nitro-benzoic acid ethyl ester; Ethyl4-Ethoxy-3-nitrobenzoate |
IUPAC Name: | ethyl 4-ethoxy-3-nitrobenzoate |
Molecular Weight: | 239.22 |
Molecular Formula: | C11H13NO5 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-] |
InChI: | InChI=1S/C11H13NO5/c1-3-16-10-6-5-8(11(13)17-4-2)7-9(10)12(14)15/h5-7H,3-4H2,1-2H3 |
InChI Key: | OFGXEABLPOGFPA-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.07937252 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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