Chemical ID: 7116781

Cc1ccc(cc1)OCCCCBr
Chemical ID:
7116781
Name [?]:
1-(4-bromobutoxy)-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)OCCCCBr
InChi [?]:
InChI=1/C11H15BrO/c1-10-4-6-11(7-5-10)13-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,3,7,4,6,12,9,2,5,13,8/E:(4,5)(6,7)/rA:13nCCCCCCCOCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15BrO
All Atoms:28
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.86664
Area:393.329
Solvation:-1.96658
Coulombic:-9.30931
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.14
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.19
LogP (Chemaxon):3.53

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Experimental Annotations

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Descriptor Annotations

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