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3',4'-Dichlorocyclohexanecarboxanilide

CAT: 0127-OR1043550-02Size: 2 gDry Ice: NoHazardous: No
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CAT#:0127-OR1043550-02Size:2 g
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CAS Number
15907-85-4
Purity
98%

Chemical Information

3',4'-Dichlorocyclohexanecarboxanilide
CAS Number15907-85-4
PubChem CID140002
IUPAC NameN-(3,4-dichlorophenyl)cyclohexanecarboxamide
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17
XLogP4.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity266
SMILES
C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H15Cl2NO/c14-11-7-6-10(8-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChIKey
QNLPPYRKEBGGHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',4'-Dichlorocyclohexanecarboxanilide
CAS: 15907-85-4
CID: 140002
Formula: C13H15Cl2NO
MW: 272.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.17
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass271.0530695
Monoisotopic Mass271.0530695
Topological Polar Surface Area29.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity266
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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