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Chemical ID: 6317929
Chemical ID:
6317929
Name [?]:
methyl 11-bromoundecanoate
SMILES [?]:
COC(=O)CCCCCCCCCCBr
InChi [?]:
InChI=1/C12H23BrO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,7,12,6,13,5,14,3,15,4,2/rA:15nCOCOCCCCCCCCCCBr/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23BrO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.345 |
Area: | 487.94 |
Solvation: | -1.85345 |
Coulombic: | -20.0949 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 279.214 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.09 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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