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Home> Hot Product Listed P   > Proteinase inhibitorPMP-C (Locusta migratoria migratorioides protein moiety reduced) (9CI)
1224887-80-2 structure

Proteinase inhibitorPMP-C (Locusta migratoria migratorioides protein moiety reduced) (9CI)

Iupac Name:2-[(2,5-dichloropyridin-4-yl)amino]benzonitrile
CAS No.:1224887-80-2
Molecular Weight:264.109
Molecular Formula:C10H14N2O2 (isomer)
Names and Identifiers
Synonyms

Lom-LMCI-II PMP-C peptide PMP-C peptide, insect Proteinase inhibitor LMCI-II (Locusta migratoria)

Inchi
InChI=1S/C12H7Cl2N3/c13-9-7-16-12(14)5-11(9)17-10-4-2-1-3-8(10)6-15/h1-5,7H,(H,16,17)
InChkey
KMSMSRKMGMIITI-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)C#N)NC2=CC(=NC=C2Cl)Cl
Isomers Smiles
C1=CC=C(C(=C1)C#N)NC2=CC(=NC=C2Cl)Cl
Properties
Density
1.12
Boiling Point
456.6°Cat760mmHg
Flash Point
85°C
Computational chemical data
  • Molecular Weight:264.109g/mol
  • Molecular Formula:C10H14N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:263.002
  • Monoisotopic Mass:263.002
  • Complexity:301
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:48.7A^2
  • Heavy Atom Count:17
  • 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: AAADcYBzAAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAIQAAAADArBGiQ8wJLIEACw BjRnRACigCAxByAI2CA4ZpgIoGLB09HEJAhgkADIyA8QgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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