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N-cyclohexyl-2-fluorobenzamide

CAT: 0127-PC1026717-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1026717-01Size:250 mg
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CAS Number
2267-95-0
Purity
95%
Smiles
C1CCC (CC1) NC (=O) C2=CC=CC=C2F

Chemical Information

N-cyclohexyl-2-fluorobenzamide
CAS Number2267-95-0
PubChem CID826983
IUPAC NameN-cyclohexyl-2-fluorobenzamide
Molecular FormulaC13H16FNO
Molecular Weight221.27
XLogP3.1
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity238
SMILES
C1CCC(CC1)NC(=O)C2=CC=CC=C2F
InChI
InChI=1S/C13H16FNO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)
InChIKey
DSKBXNLFMNQDFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cyclohexyl-2-fluorobenzamide
CAS: 2267-95-0
CID: 826983
Formula: C13H16FNO
MW: 221.27
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight221.27
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass221.121592296
Monoisotopic Mass221.121592296
Topological Polar Surface Area29.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity238
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