2-Amino-3,5-dichloro-1,4-benzenedicarboxylic Acid 1,4-Dimethyl Ester - CAS 1258298-04-2
Catalog: |
BB074883 |
Product Name: |
2-Amino-3,5-dichloro-1,4-benzenedicarboxylic Acid 1,4-Dimethyl Ester |
CAS: |
1258298-04-2 |
Synonyms: |
dimethyl 2-amino-3,5-dichloroterephthalate; dimethyl 2-amino-3,5-dichlorobenzene-1,4-dicarboxylate; 2-Amino-3,5-dichloro-1,4-benzenedicarboxylic Acid 1,4-Dimethyl Ester; 1,4-dimethyl 2-amino-3,5-dichlorobenzene-1,4-dicarboxylate |
IUPAC Name: | dimethyl 2-amino-3,5-dichlorobenzene-1,4-dicarboxylate |
Molecular Weight: | 278.09 |
Molecular Formula: | C10H9Cl2NO4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C(=C1N)Cl)C(=O)OC)Cl |
InChI: | InChI=1S/C10H9Cl2NO4/c1-16-9(14)4-3-5(11)6(10(15)17-2)7(12)8(4)13/h3H,13H2,1-2H3 |
InChI Key: | ANFVZNWTMDRLDC-UHFFFAOYSA-N |
Solubility: | Chloroform, DCM |
Appearance: | Light Yellow Semi-Solid |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.9908632 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.9908632 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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