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2- (3-Chlorophenyl) pyrrolidine

CAT: 0127-OR962418-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR962418-01Size:1 g
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CAS Number
298690-74-1
MDL Number
MFCD02663429
Purity
97%
Smiles
Clc1cccc(c1)C2CCCN2

Chemical Information

2-(3-Chlorophenyl)pyrrolidine
CAS Number298690-74-1
PubChem CID4579806
IUPAC Name2-(3-chlorophenyl)pyrrolidine
Molecular FormulaC10H12ClN
Molecular Weight181.66
XLogP2.4
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
C1CC(NC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H12ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2
InChIKey
SRTPGDGQKPCDMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Chlorophenyl)pyrrolidine
CAS: 298690-74-1
CID: 4579806
Formula: C10H12ClN
MW: 181.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.66
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass181.0658271
Monoisotopic Mass181.0658271
Topological Polar Surface Area12 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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