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2-Chloro-N-cyclohexylpropanamide

CAT: 0926-UDA31876-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-UDA31876-01Size:250 mg
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CAS Number
94318-76-0
MDL Number
MFCD04626510
Smiles
CC (C (=O) NC1CCCCC1) Cl
Molecular Formula
C9H16ClNO
Molecular Weight
189.68 g/mol
Controlled
No

Chemical Information

2-chloro-N-cyclohexylpropanamide
CAS Number94318-76-0
PubChem CID3613317
IUPAC Name2-chloro-N-cyclohexylpropanamide
Molecular FormulaC9H16ClNO
Molecular Weight189.68
XLogP2.4
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity155
SMILES
CC(C(=O)NC1CCCCC1)Cl
InChI
InChI=1S/C9H16ClNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKey
XEZUQDMCORIBFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-cyclohexylpropanamide
CAS: 94318-76-0
CID: 3613317
Formula: C9H16ClNO
MW: 189.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight189.68
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass189.0920418
Monoisotopic Mass189.0920418
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity155
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