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3-Chloro-N-cyclohexylaniline

CAT: 0926-HBA60598-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-HBA60598-01Size:100 mg
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CAS Number
32605-98-4
MDL Number
MFCD11118533
Smiles
C1CCC (CC1) NC2=CC (=CC=C2) Cl
Molecular Formula
C12H16ClN
Molecular Weight
209.71 g/mol
Controlled
No

Chemical Information

3-chloro-N-cyclohexylaniline
CAS Number32605-98-4
PubChem CID28332310
IUPAC Name3-chloro-N-cyclohexylaniline
Molecular FormulaC12H16ClN
Molecular Weight209.71
XLogP4.3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity166
SMILES
C1CCC(CC1)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H16ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7H2
InChIKey
ULFKZCXJMXVRKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-chloro-N-cyclohexylaniline
CAS: 32605-98-4
CID: 28332310
Formula: C12H16ClN
MW: 209.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.71
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass209.0971272
Monoisotopic Mass209.0971272
Topological Polar Surface Area12 Ų
Heavy Atom Count14
Formal Charge0
Complexity166
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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