Chemical ID: 6471291

CCCC(=O)Oc1ccc(cc1)Cl
Chemical ID:
6471291
Name [?]:
(4-chlorophenyl) butanoate
SMILES [?]:
CCCC(=O)Oc1ccc(cc1)Cl
InChi [?]:
InChI=1/C10H11ClO2/c1-2-3-10(12)13-9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,9,11,8,12,10,7,4,13,5,6/E:(4,5)(6,7)/rA:13nCCCCOOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11ClO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.02132
Area:381.843
Solvation:-1.52474
Coulombic:-19.4661
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.646
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.25
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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