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Chemical ID: 5184294
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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