2-Amino-3-chloro-1,4-benzenedicarboxylic Acid 1,4-Dimethyl Ester - CAS 1357366-94-9
Catalog: |
BB074948 |
Product Name: |
2-Amino-3-chloro-1,4-benzenedicarboxylic Acid 1,4-Dimethyl Ester |
CAS: |
1357366-94-9 |
Synonyms: |
Dimethyl 2-amino-3-chloroterephthalate |
IUPAC Name: | dimethyl 2-amino-3-chlorobenzene-1,4-dicarboxylate |
Description: | 2-Amino-3-chloro-1,4-benzenedicarboxylic Acid 1,4-Dimethyl Ester is a ueful synthetic interemediate. |
Molecular Weight: | 243.64 |
Molecular Formula: | C10H10ClNO4 |
Canonical SMILES: | COC(=O)C1=C(C(=C(C=C1)C(=O)OC)Cl)N |
InChI: | InChI=1S/C10H10ClNO4/c1-15-9(13)5-3-4-6(10(14)16-2)8(12)7(5)11/h3-4H,12H2,1-2H3 |
InChI Key: | YTMSKFNHQXHRFB-UHFFFAOYSA-N |
Solubility: | Dichloomethane, Dimethysulfoxide |
Appearance: | Yellow Solid |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.0298355 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.0298355 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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