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MF 63

CAT: 0926-SKB54943-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-SKB54943-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
892549-43-8
MDL Number
MFCD18384972
Smiles
C1=CC=C2C (=C1) C3=C (C=CC (=C3) Cl) C4=C2N=C (N4) C5=C (C=CC=C5C#N) C#N
Molecular Formula
C23H11ClN4
Molecular Weight
378.81 g/mol
Controlled
No

Chemical Information

2-(9-Chloro-1h-Phenanthro[9,10-D]imidazol-2-Yl)benzene-1,3-Dicarbonitrile
CAS Number892549-43-8
PubChem CID16070041
IUPAC Name2-(6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile
Molecular FormulaC23H11ClN4
Molecular Weight378.8
XLogP4.8
Topological Polar Surface Area76.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity667
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)C4=C2N=C(N4)C5=C(C=CC=C5C#N)C#N
InChI
InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
InChIKey
BVFLHOOKHPFDCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(9-Chloro-1h-Phenanthro[9,10-D]imidazol-2-Yl)benzene-1,3-Dicarbonitrile
CAS: 892549-43-8
CID: 16070041
Formula: C23H11ClN4
MW: 378.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.8
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass378.0672241
Monoisotopic Mass378.0672241
Topological Polar Surface Area76.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity667
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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