Chemical ID: 6317929

COC(=O)CCCCCCCCCCBr
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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