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Home> Hot Product Listed P   > Poly[oxy(dimethylsilylene)],a-[[3-[(2-aminoethyl)amino]propyl]dimethylsilyl]-w-[(trimethylsilyl)oxy]...
1182367-47-0 structure

Poly[oxy(dimethylsilylene)],a-[[3-[(2-aminoethyl)amino]propyl]dimethylsilyl]-w-[(trimethylsilyl)oxy]-

Iupac Name:2-chloro-4-[[(1R,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile
CAS No.:1182367-47-0
Molecular Weight:393.831
Molecular Formula:C5H7CLO3 (isomer)
Names and Identifiers
Synonyms

KF393

Inchi
InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1
InChkey
XMBUPPIEVAFYHO-KPZWWZAWSA-N
Canonical Smiles
CC1=C(C=CC(=C1Cl)C#N)NC(C2=NN=C(O2)C3=CC=C(C=C3)C#N)C(C)O
Properties
Density
1.15
Boiling Point
°Cat760mmHg
Flash Point
172.7°C
Computational chemical data
  • Molecular Weight:393.831g/mol
  • Molecular Formula:C5H7CLO3
  • Compound Is Canonicalized:True
  • Exact Mass:393.099
  • Monoisotopic Mass:393.099
  • Complexity:623
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:119A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:2
  • 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: AAADceB7sAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIYCAAADD7hmiYywILABkC6 BiVyUACyAAAtBgAaiKG4btgK9rbBt7mfcQhn+AHY6Y+YyHCOSAACAAIDAACQAAQABAYAAAAAAAAA AA==
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