Mls002706521

HCID 270672

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Basic information

CAS: 26844-83-7
Standard SMILES: O=c1[nH]c2ccccc2c2ccc(Cl)cc12
InChIKey: AWRYMEFFWINYLP-UHFFFAOYSA-N
Molecular formula: C13H8ClNO
Average molar mass: 229.66 g/mol
Monoisotopic mass: 229.0294416

Names & identifiers

Preferred name: Mls002706521
IUPAC: 8-chloro-5H-phenanthridin-6-one

Names & synonyms

MLS00270652126844-83-7DTXSID20297036RefChem:357238DTXCID102481738-chlorophenanthridin-6(5h)-one6(5H)-Phenanthridinone,8-chloro-NSC113301CHEMBL1711250SCHEMBL27918352NSC-113301SMR001573925

Show more names

DS-015601

Database identifiers

CAS: 26844-83-7
PubChem CID: 270672
DTXSID: DTXSID20297036
ChEMBL: CHEMBL1711250
Nikkaji: J3.209.426K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 294

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