Chemical ID: 7291143

CC(C)(C)C(=O)CCc1ccc(cc1)Cl
Chemical ID:
7291143
Name [?]:
1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one
SMILES [?]:
CC(C)(C)C(=O)CCc1ccc(cc1)Cl
InChi [?]:
InChI=1/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,14,8,11,13,7,9,12,5,2,15,6/E:(1,2,3)(4,5)(7,8)/rA:15nCCCCCOCCCCCCCCCl/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17ClO
All Atoms:32
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.89716
Area:424.852
Solvation:-1.72415
Coulombic:-9.79591
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:224.726
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.25
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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