Chemical ID: 6526690

C1CCC(CC1)C(=O)NCCBr
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

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