Chemical ID: 6492982

CCCCCC(=O)Oc1ccccc1Cl
Chemical ID:
6492982
Name [?]:
(2-chlorophenyl) hexanoate
SMILES [?]:
CCCCCC(=O)Oc1ccccc1Cl
InChi [?]:
InChI=1/C12H15ClO2/c1-2-3-4-9-12(14)15-11-8-6-5-7-10(11)13/h5-8H,2-4,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,12,11,13,10,5,14,9,6,15,7,8/rA:15nCCCCCCOOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.38735
Area:424.888
Solvation:-1.23485
Coulombic:-21.0774
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.699
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):3.88

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Experimental Annotations

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Descriptor Annotations

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