Methyl 4-(ethylamino)-3-nitrobenzoate - CAS 396652-42-9
Catalog: |
BB059712 |
Product Name: |
Methyl 4-(ethylamino)-3-nitrobenzoate |
CAS: |
396652-42-9 |
Synonyms: |
Methyl 4-(ethylamino)-3-nitrobenzoate; Methyl4-(ethylamino)-3-nitrobenzoate; 4-Ethylamino-3-nitro-benzoic acid methyl ester |
IUPAC Name: | methyl 4-(ethylamino)-3-nitrobenzoate |
Description: | Methyl 4-(ethylamino)-3-nitrobenzoate |
Molecular Weight: | 224.21 |
Molecular Formula: | C10H12N2O4 |
Canonical SMILES: | CCNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C10H12N2O4/c1-3-11-8-5-4-7(10(13)16-2)6-9(8)12(14)15/h4-6,11H,3H2,1-2H3 |
InChI Key: | PGOWZUNCBPVWPL-UHFFFAOYSA-N |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.07970687 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 84.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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