Ethyl 4-(butylamino)-3-nitrobenzoate - CAS 1206724-39-1
Catalog: |
BB065669 |
Product Name: |
Ethyl 4-(butylamino)-3-nitrobenzoate |
CAS: |
1206724-39-1 |
Synonyms: |
ethyl 4-(butylamino)-3-nitrobenzoate; ethyl4-(butylamino)-3-nitrobenzoate; ethyl 4-(butylamino)-3-nitro-benzoate |
IUPAC Name: | ethyl 4-(butylamino)-3-nitrobenzoate |
Molecular Weight: | 266.29 |
Molecular Formula: | C13H18N2O4 |
Canonical SMILES: | CCCCNC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-] |
InChI: | InChI=1S/C13H18N2O4/c1-3-5-8-14-11-7-6-10(13(16)19-4-2)9-12(11)15(17)18/h6-7,9,14H,3-5,8H2,1-2H3 |
InChI Key: | XTYBXKDVKDHZDH-UHFFFAOYSA-N |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.12665706 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 84.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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