Ethyl 4-(cyclopropylamino)-3-nitrobenzoate - CAS 1467047-28-4
Catalog: |
BB065530 |
Product Name: |
Ethyl 4-(cyclopropylamino)-3-nitrobenzoate |
CAS: |
1467047-28-4 |
Synonyms: |
ETHYL 4-(CYCLOPROPYLAMINO)-3-NITROBENZOATE;ETHYL4-(CYCLOPROPYLAMINO)-3-NITROBENZOATE |
IUPAC Name: | ethyl 4-(cyclopropylamino)-3-nitrobenzoate |
Description: | Ethyl 4-(cyclopropylamino)-3-nitrobenzoate is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 250.25 |
Molecular Formula: | C12H14N2O4 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H14N2O4/c1-2-18-12(15)8-3-6-10(13-9-4-5-9)11(7-8)14(16)17/h3,6-7,9,13H,2,4-5H2,1H3 |
InChI Key: | XPGCSHFQVYOFRG-UHFFFAOYSA-N |
References: | Skouta, R., et al. J. Am. Chem. Soc., 136, 4551 (2014). |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.09535693 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 84.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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