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2-chloro-N- (2-cyclohexylethyl) acetamide

CAT: 0926-EXB76209-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-EXB76209-01Size:100 mg
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CAS Number
1179762-09-4
MDL Number
MFCD12798903
Smiles
C1CCC (CC1) CCNC (=O) CCl
Molecular Formula
C10H18ClNO
Molecular Weight
203.71 g/mol
Controlled
No

Chemical Information

2-chloro-N-(2-cyclohexylethyl)acetamide
CAS Number1179762-09-4
PubChem CID51889850
IUPAC Name2-chloro-N-(2-cyclohexylethyl)acetamide
Molecular FormulaC10H18ClNO
Molecular Weight203.71
XLogP3.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity155
SMILES
C1CCC(CC1)CCNC(=O)CCl
InChI
InChI=1S/C10H18ClNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,13)
InChIKey
WTKWENBWTLUUOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-(2-cyclohexylethyl)acetamide
CAS: 1179762-09-4
CID: 51889850
Formula: C10H18ClNO
MW: 203.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight203.71
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass203.1076919
Monoisotopic Mass203.1076919
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
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