Chemical ID: 6653610

COC(=O)CCCCCBr
Chemical ID:
6653610
Name [?]:
methyl 6-bromohexanoate
SMILES [?]:
COC(=O)CCCCCBr
InChi [?]:
InChI=1/C7H13BrO2/c1-10-7(9)5-3-2-4-6-8/h2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,3,10,4,2/rA:10nCOCOCCCCCBr/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H13BrO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.9685
Area:353.406
Solvation:-1.86664
Coulombic:-18.5103
Bond Count [?]
All:9
Single:8
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.081
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.25
LogP (Chemaxon):1.74

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Experimental Annotations

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Descriptor Annotations

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