Cas no 17613-37-5 (2-bromophenanthridine)

2-bromophenanthridine structure
2-bromophenanthridine structure
Product Name:2-bromophenanthridine
CAS No:17613-37-5
MF:C13H8BrN
MW:258.113322257996
CID:906409
PubChem ID:270481
Update Time:2025-04-19

2-bromophenanthridine Chemical and Physical Properties

Names and Identifiers

    • 2-bromophenanthridine
    • SCHEMBL9020772
    • DTXSID60296967
    • SMR001573888
    • MLS002706483
    • NSC-112911
    • 17613-37-5
    • NSC112911
    • CHEMBL1879065
    • DS-013032
    • Inchi: 1S/C13H8BrN/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-8H
    • InChI Key: GLJMNHXRCJKURC-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2C(C=1)=C1C=CC=CC1=CN=2

Computed Properties

  • Exact Mass: 256.98404
  • Monoisotopic Mass: 256.984
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 1.544
  • Boiling Point: 402.9°C at 760 mmHg
  • Flash Point: 197.5°C
  • Refractive Index: 1.744
  • PSA: 12.89
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