Chemical ID: 7085876

c1cc(ccc1C(=O)CCCCCCCl)F
Chemical ID:
7085876
Name [?]:
7-chloro-1-(4-fluorophenyl)-heptan-1-one
SMILES [?]:
c1cc(ccc1C(=O)CCCCCCCl)F
InChi [?]:
InChI=1/C13H16ClFO/c14-10-4-2-1-3-5-13(16)11-6-8-12(15)9-7-11/h6-9H,1-5,10H2
InChi Info:
AuxInfo=1/0/N:11,12,10,13,9,1,5,2,4,14,6,3,7,15,16,8/E:(6,7)(8,9)/rA:16nCCCCCCCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClFO
All Atoms:32
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.54589
Area:456.628
Solvation:-2.86982
Coulombic:-13.4982
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:242.717
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.26
LogP (Chemaxon):3.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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