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6-Phenyl-1H-indole

CAT: 0926-GEA85131-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GEA85131-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106851-31-4
MDL Number
MFCD01625962
Smiles
C1=CC=C (C=C1) C2=CC3=C (C=C2) C=CN3
Molecular Formula
C14H11N
Molecular Weight
193.24 g/mol
Controlled
No

Chemical Information

6-phenyl-1H-indole
CAS Number106851-31-4
PubChem CID13585853
IUPAC Name6-phenyl-1H-indole
Molecular FormulaC14H11N
Molecular Weight193.24
XLogP4.6
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity207
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C=CN3
InChI
InChI=1S/C14H11N/c1-2-4-11(5-3-1)13-7-6-12-8-9-15-14(12)10-13/h1-10,15H
InChIKey
KVVBMAQSZVYTCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-phenyl-1H-indole
CAS: 106851-31-4
CID: 13585853
Formula: C14H11N
MW: 193.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.24
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass193.089149355
Monoisotopic Mass193.089149355
Topological Polar Surface Area15.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
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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