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Chemical ID: 6526690
Chemical ID:
6526690
Name [?]:
N-(2-bromoethyl)cyclohexanecarboxamide
SMILES [?]:
C1CCC(CC1)C(=O)NCCBr
InChi [?]:
InChI=1/C9H16BrNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,10,4,7,12,9,8/E:(2,3)(4,5)/rA:12nCCCCCCCONCCBr/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16BrNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52799 |
Area: | 365.684 |
Solvation: | -1.6141 |
Coulombic: | -21.4319 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.133 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.73 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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