Methyl 2,4-dichloro-5-nitrobenzoate - CAS 101495-62-9
Catalog: |
BB075980 |
Product Name: |
Methyl 2,4-dichloro-5-nitrobenzoate |
CAS: |
101495-62-9 |
Synonyms: |
methyl 2,4-dichloro-5-nitrobenzoate; 2,4-Dichloro-5-nitro-benzoic acid methyl ester; methyl2,4-dichloro-5-nitrobenzoate |
IUPAC Name: | methyl 2,4-dichloro-5-nitrobenzoate |
Description: | Methyl 2,4-dichloro-5-nitrobenzoate |
Molecular Weight: | 250.04 |
Molecular Formula: | C8H5Cl2NO4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5Cl2NO4/c1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9/h2-3H,1H3 |
InChI Key: | VFUFURDNRHDVBS-UHFFFAOYSA-N |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.959563 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.959563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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