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Home> Hot Product Listed S   > Synthetic fibers, boron
147098-18-8 structure

Synthetic fibers, boron

Iupac Name:sodium;(E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
CAS No.:147098-18-8
Molecular Weight:503.521
Molecular Formula:C2H8O2SI (isomer)
Names and Identifiers
Synonyms

BN 230 Boron fibers Boron synthetic fibers

Inchi
InChI=1S/C22H28FN3O6S.Na/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;
InChkey
RGEBGDYYHAFODH-RRABGKBLSA-M
Canonical Smiles
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]
Properties
Density
1.069
Boiling Point
339.9°C at 760 mmHg
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:503.521g/mol
  • Molecular Formula:C2H8O2SI
  • Compound Is Canonicalized:True
  • Exact Mass:503.15
  • Monoisotopic Mass:503.15
  • Complexity:773
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:152A^2
  • Heavy Atom Count:34
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7OSBAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHwQASAAADRyhng6zmJYIEgKo AyTybHCCgCkhAKAJmCE4RJiIPLbA2dGEdAhtoAJI2CeY7MROAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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