Chemical ID: 5004139

CCCCCCOc1ccc(cc1)Cl
Chemical ID:
5004139
Name [?]:
1-chloro-4-hexoxy-benzene
SMILES [?]:
CCCCCCOc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H17ClO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,10,12,9,13,6,11,8,14,7/E:(6,7)(8,9)/rA:14nCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17ClO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.9797
Area:427.485
Solvation:-1.70742
Coulombic:-10.3035
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:212.715
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.05
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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