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Home> Hot Product Listed T   > T6061644
1178206-51-3 structure

T6061644

Iupac Name:2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylethanone
CAS No.:1178206-51-3
Molecular Weight:274.118
Molecular Formula:C16H15FN2O (isomer)
Names and Identifiers
Synonyms

4-(2-hydroxybenzamido)-n-methylbenzamide MCULE-8027083637 MOLPORT-009-625-213 Z244101600 ZINC57541999

Inchi
InChI=1S/C9H12BrN3O2/c10-8-5-11-13(6-8)7-9(14)12-1-3-15-4-2-12/h5-6H,1-4,7H2
InChkey
PUTSKBKNYMTFJM-UHFFFAOYSA-N
Canonical Smiles
C1COCCN1C(=O)CN2C=C(C=N2)Br
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:274.118g/mol
  • Molecular Formula:C16H15FN2O
  • Compound Is Canonicalized:True
  • Exact Mass:273.011
  • Monoisotopic Mass:273.011
  • Complexity:233
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:47.4A^2
  • Heavy Atom Count:15
  • 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: AAADccBzMAAAEAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHgBIAAABqADhkgYsgJMIBACq ABF3VACQBAARgAAQUCCoRBACQIBAQWAXhAgADgDQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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