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6-Chlorophenanthridine

CAT: 1596-AR-B06489-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B06489-03Size:50 Units
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CAS Number
15679-03-5
Synonyms
6-chlorophenanthridine
Molecular Formula
C13H8ClN
Molecular Weight
213.66
API Name
Benzene

Chemical Information

6-Chlorophenanthridine
CAS Number15679-03-5
PubChem CID269968
IUPAC Name6-chlorophenanthridine
Molecular FormulaC13H8ClN
Molecular Weight213.66
XLogP4.4
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity231
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C13H8ClN/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
InChIKey
XHZTZKAXCPJABO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chlorophenanthridine
CAS: 15679-03-5
CID: 269968
Formula: C13H8ClN
MW: 213.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.66
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass213.0345270
Monoisotopic Mass213.0345270
Topological Polar Surface Area12.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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