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Home> Encyclopedia > Hot Product Listed 5   > 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[(acetyloxy)methyl]-7-[[[3-(2-chlorophenyl)-5...
876343-10-1 structure

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[(acetyloxy)methyl]-7-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-8-oxo-,monosodium salt, (6R-trans)- (9CI)

Iupac Name:4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
CAS No.:876343-10-1
Molecular Weight:279.465
Molecular Formula:C15H26O2 (isomer)
Names and Identifiers
Synonyms

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3-(hydroxymethyl)-8-oxo-,acetate (ester), monosodium salt (8CI)

Inchi
InChI=1S/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)
InChkey
DXPVKZYVQANEDW-UHFFFAOYSA-N
Canonical Smiles
C1=C(NC2=C1C(=NC=N2)Cl)I
Properties
Density
1.342
Boiling Point
231.9°Cat760mmHg
Refractive Index
1.804
HS Code
2933990090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:279.465g/mol
  • Molecular Formula:C15H26O2
  • Compound Is Canonicalized:True
  • Exact Mass:278.906
  • Monoisotopic Mass:278.906
  • Complexity:157
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:11
  • 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: AAADcQBjAAAEAgAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAIwAAAADAKDGyQ1sN7JkACg AiJjZACCgCmxBqAB2SA4ZpiIKMBBysEEBAhIEALAQCAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:86-25-66112885
  • Fax:86-25-66112885
  • Tel:+86 (0) 571 85 58 67 18
  • Fax:0086-571-85864795
  • Tel:+49-(8051)-9651660
  • Fax:+49-(8051)-9651661
  • Tel:+1-(732)-668-8759
  • Fax:+1-(732)-359-1599
 
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