4-(2,6-Dichloroanilino)-3-thiophenecarboxylic Acid Methyl Ester - CAS 72888-20-1
Catalog: |
BB068071 |
Product Name: |
4-(2,6-Dichloroanilino)-3-thiophenecarboxylic Acid Methyl Ester |
CAS: |
72888-20-1 |
Synonyms: |
4-[(2,6-Dichlorophenyl)amino]-3-thiophenecarboxylic Acid Methyl EsterMesitylene |
IUPAC Name: | methyl 4-(2,6-dichloroanilino)thiophene-3-carboxylate |
Description: | Intermediate in the preparation of (phenylamino)thiopheneacetic acids as analgesics and antipyretics. |
Molecular Weight: | 302.18 |
Molecular Formula: | C12H9Cl2NO2S |
Canonical SMILES: | COC(=O)C1=CSC=C1NC2=C(C=CC=C2Cl)Cl |
InChI: | InChI=1S/C12H9Cl2NO2S/c1-17-12(16)7-5-18-6-10(7)15-11-8(13)3-2-4-9(11)14/h2-6,15H,1H3 |
InChI Key: | QSSGUHHGMRHQIB-UHFFFAOYSA-N |
Melting Point: | 78-80°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Yellow Solid |
Storage: | -20°C Freezer |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.9731051 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.9731051 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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