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Chemical ID: 7116781
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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