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Home> Hot Product Listed L   > LP 533401
17775-01-8 structure

LP 533401

Iupac Name:2,3,4,5-tetrahydro-1,4-benzoxazepine
CAS No.:17775-01-8
Molecular Weight:149.193
Molecular Formula:C23H28F2O6 (isomer)
Names and Identifiers
Synonyms

(2s)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy)pyrimidin-4-yl)phenyl)propanoic acid (2s)-2-amino-3-{4-[2-amino-6-(2,2,2-trifluoro-1-{3'-fluoro-[1,1'-biphenyl]-4-yl}ethoxy)pyrimidin-4-yl]phenyl}propanoic acid bdbm50019143 CHEMBL511275 CS-7843 HY-15849 JZWUKILTKYJLCN-XEGCMXMBSA-N lp-533401 MOLPORT-044-561-062 SCHEMBL307901

Inchi
InChI=1S/C9H11NO/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-4,10H,5-7H2
InChkey
HDVHFHONOKCUHQ-UHFFFAOYSA-N
Canonical Smiles
C1COC2=CC=CC=C2CN1
Properties
Vapour
0.017mmHg at 25°C
Refractive Index
1.527
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:149.193g/mol
  • Molecular Formula:C23H28F2O6
  • Compound Is Canonicalized:True
  • Exact Mass:149.084
  • Monoisotopic Mass:149.084
  • Complexity:127
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:21.3A^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: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAABYAAAAABAAAAHgAQAAAADAThmAYwBoLABACA AiBCAACCCAAgIAAIiIAODIgOJiKEsRuHOCjm0BGYqAeQwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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