Ethyl 4-(4-nitrophenyl)benzoate - CAS 6242-99-5
Catalog: |
BB065603 |
Product Name: |
Ethyl 4-(4-nitrophenyl)benzoate |
CAS: |
6242-99-5 |
Synonyms: |
Ethyl 4-(4-nitrophenyl)benzoate; Ethyl 4'-nitro-[1,1'-biphenyl]-4-carboxylate; 4'-Nitro-biphenyl-4-carboxylic acid ethyl ester; Ethyl4'-nitro-[1,1'-biphenyl]-4-carboxylate; Ethyl 4-(4-nitrophenyl) benzoate |
IUPAC Name: | ethyl 4-(4-nitrophenyl)benzoate |
Description: | Ethyl 4-(4-nitrophenyl)benzoate |
Molecular Weight: | 271.27 |
Molecular Formula: | C15H13NO4 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C15H13NO4/c1-2-20-15(17)13-5-3-11(4-6-13)12-7-9-14(10-8-12)16(18)19/h3-10H,2H2,1H3 |
InChI Key: | OVKHMXKMNWEQHF-UHFFFAOYSA-N |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0844579 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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