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Chemical ID: 3963857
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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