Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 1   > 1H,3H,6H-Benz[2,3]azirino[1,2-c]oxazole(9CI)
849068-22-0 structure

1H,3H,6H-Benz[2,3]azirino[1,2-c]oxazole(9CI)

Iupac Name:1-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CAS No.:849068-22-0
Molecular Weight:322.186
Molecular Formula:C13H20O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C14H19BN2O4S/c1-13(2)14(3,4)21-15(20-13)11-8-10-6-7-17(22(5,18)19)12(10)16-9-11/h6-9H,1-5H3
InChkey
JYRHKKPLWNTIDL-UHFFFAOYSA-N
Canonical Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(C=C3)S(=O)(=O)C
Properties
Refractive Index
1.578
Flash Point
54.1°C
Computational chemical data
  • Molecular Weight:322.186g/mol
  • Molecular Formula:C13H20O3
  • Compound Is Canonicalized:True
  • Exact Mass:322.116
  • Monoisotopic Mass:322.116
  • Complexity:530
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:78.8A^2
  • Heavy Atom Count:22
  • 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: AAADceJzOABAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAoHgQAQAAADETBmwS/sN4IEAKg AjJnZHCCgCkxAqAJ2CA4ZJiJKOLAmZGEIAhogALIyCcQAAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:0086-371-67991738
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
Recommended Suppliers
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:0086-371-67991738
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<