2-Amino-3-nitrobenzoic Acid Ethyl Ester - CAS 61063-11-4
Catalog: |
BB061280 |
Product Name: |
2-Amino-3-nitrobenzoic Acid Ethyl Ester |
CAS: |
61063-11-4 |
Synonyms: |
ethyl 2-amino-3-nitrobenzoate; 2-Amino-3-nitrobenzoic acid ethyl ester; benzoic acid, 2-amino-3-nitro-, ethyl ester; ethyl 2-amino-3-nitro-benzoate; Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate |
IUPAC Name: | ethyl 2-amino-3-nitrobenzoate |
Molecular Weight: | 210.19 |
Molecular Formula: | C9H10N2O4 |
Canonical SMILES: | CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N |
InChI: | InChI=1S/C9H10N2O4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2,10H2,1H3 |
InChI Key: | MIVXXTKDCKQHCD-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: | 5 |
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: | 2.4 |
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