Chemical ID: 3963857

COc1ccccc1OCCCCBr
Chemical ID:
3963857
Name [?]:
1-(4-bromobutoxy)-2-methoxy-benzene
SMILES [?]:
COc1ccccc1OCCCCBr
InChi [?]:
InChI=1/C11H15BrO2/c1-13-10-6-2-3-7-11(10)14-9-5-4-8-12/h2-3,6-7H,4-5,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,12,11,4,7,13,10,3,8,14,2,9/rA:14nCOCCCCCCOCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15BrO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.15916
Area:409.734
Solvation:-4.08418
Coulombic:-15.7894
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:259.14
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.4
LogP (Chemaxon):2.81

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Experimental Annotations

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Descriptor Annotations

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