Benzyl 2-Hydroxy-5-nitrobenzoate - CAS 155388-71-9
Catalog: |
BB073677 |
Product Name: |
Benzyl 2-Hydroxy-5-nitrobenzoate |
CAS: |
155388-71-9 |
Synonyms: |
Benzyl 2-hydroxy-5-nitrobenzoate; Benzoic acid, 2-hydroxy-5-nitro-, phenylmethyl ester |
IUPAC Name: | benzyl 2-hydroxy-5-nitrobenzoate |
Molecular Weight: | 273.24 |
Molecular Formula: | C14H11NO5 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O |
InChI: | InChI=1S/C14H11NO5/c16-13-7-6-11(15(18)19)8-12(13)14(17)20-9-10-4-2-1-3-5-10/h1-8,16H,9H2 |
InChI Key: | DNKITKPTEJNJOU-UHFFFAOYSA-N |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.06372245 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.06372245 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 92.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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