Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4-Pyridinecarboxylicacid, 2,6-dibromo-, ethyl ester
353254-79-2 structure

4-Pyridinecarboxylicacid, 2,6-dibromo-, ethyl ester

Iupac Name:2-[[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CAS No.:353254-79-2
Molecular Weight:476.833
Molecular Formula:C21H22O12 (isomer)
Names and Identifiers
Synonyms

4-pyridinecarboxylic acid, 2,6-dibromo-, ethyl ester AC1L4FZQ AK479369 AKOS027425874 CTK8D4266 DTXSID60238009 Ethyl 2,6-dibromo-4-pyridinecarboxylate ethyl 2,6-dibromoisonicotinate ethyl 2,6-dibromopyridine-4-carboxylate Isonicotinicacid, 2,6-dibromo-, ethyl ester (7CI) SCHEMBL3443140 TX-010656 Z-2616 ZINC5858077

Inchi
InChI=1S/C17H12Cl3N3OS3/c18-11-3-1-2-10(6-11)8-25-16-22-23-17(27-16)26-9-15(24)21-12-4-5-13(19)14(20)7-12/h1-7H,8-9H2,(H,21,24)
InChkey
WUHXZALJYUNDGJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)Cl)CSC2=NN=C(S2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl
Properties
Density
1.62
Boiling Point
508.4°Cat760mmHg
Refractive Index
1.717
Flash Point
230.1 °C
Computational chemical data
  • Molecular Weight:476.833g/mol
  • Molecular Formula:C21H22O12
  • Compound Is Canonicalized:True
  • Exact Mass:474.921
  • Monoisotopic Mass:474.921
  • Complexity:494
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:134A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7IABmAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgYYAAAADAqF2CCwwILAAAiu AiVSUACSAQBhBxAIikAAZogIICLhk5GEIAhglADIyAcQgAAOAABAIAIAAAQAAIBABAAACAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:86-535-6397790
  • Fax:86-535-2160848
  • Tel:+86-(574)-6237-8411
  • Fax:+86-(574)-6237-8410
Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:86-535-6397790
  • Fax:86-535-2160848
  • Tel:+86-(574)-6237-8411
  • Fax:+86-(574)-6237-8410
 
<