Chemical ID: 5184294

CCCCCCC(C)Oc1ccccc1Cl
Chemical ID:
5184294
Name [?]:
2-(2-chlorophenoxy)octane
SMILES [?]:
CCCCCCC(C)Oc1ccccc1Cl
InChi [?]:
InChI=1/C14H21ClO/c1-3-4-5-6-9-12(2)16-14-11-8-7-10-13(14)15/h7-8,10-12H,3-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,3,4,5,13,12,6,14,11,7,15,10,16,9/rA:16cCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21ClO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:9.77348
Area:459.583
Solvation:-1.71609
Coulombic:-11.2094
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:240.769
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.08
LogP (Chemaxon):5.12

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