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3-Phenyl-1H-pyrrole

CAT: 1266-JH665790Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH665790Size:1 Each
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CAS Number
27649-43-0
HS Code
2933990099
Molecular Formula
C10H9N
Molecular Weight
143.19
Product Name Synonym
1H-Pyrrole,3-phenyl
Physical Properties
White to off-white powder
Safety Statements
S26; S36
Density
1.076±0.06 g/cm3 (Predicted)
Flash Point
125.4oC
Melting Point
175-176oC

Chemical Information

3-phenyl-1H-pyrrole
CAS Number27649-43-0
PubChem CID5324110
IUPAC Name3-phenyl-1H-pyrrole
Molecular FormulaC10H9N
Molecular Weight143.18
XLogP2.3
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
C1=CC=C(C=C1)C2=CNC=C2
InChI
InChI=1S/C10H9N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8,11H
InChIKey
LJDRAKFYYGCAQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-phenyl-1H-pyrrole
CAS: 27649-43-0
CID: 5324110
Formula: C10H9N
MW: 143.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.18
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass143.073499291
Monoisotopic Mass143.073499291
Topological Polar Surface Area15.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity116
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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