Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5H-Furo[3,2-g][1]benzopyran-5-one,4-hydroxy-7-(hydroxymethyl)-9-methoxy-
1210608-91-5 structure

5H-Furo[3,2-g][1]benzopyran-5-one,4-hydroxy-7-(hydroxymethyl)-9-methoxy-

Iupac Name:N-(3-chloro-4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine
CAS No.:1210608-91-5
Molecular Weight:450.918
Molecular Formula:C10H11N3O2 (isomer)
Names and Identifiers
Synonyms

Norammiol

Inchi
InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)/i1+1D3
InChkey
XGALLCVXEZPNRQ-KQORAOOSSA-N
Canonical Smiles
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
Properties
Density
1.31
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:450.918g/mol
  • Molecular Formula:C10H11N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:450.174
  • Monoisotopic Mass:450.174
  • Complexity:545
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:68.7A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:4
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7sQAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwIQAAAADA7hni439vfIFACg AyZjZACCiCkxJ6AJ2CA+7piPLuLF+9uHPCru0Bva6Cew0BMOIEABAgICQABAgAIEBASAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-68404353-215
  • Fax:
Recommended Suppliers
  • Tel:86-21-68404353-215
  • Fax:
 
<