Chemical ID: 5193320

CC(=O)COc1cccc(c1)Cl
Chemical ID:
5193320
Name [?]:
1-(3-chlorophenoxy)propan-2-one
SMILES [?]:
CC(=O)COc1cccc(c1)Cl
InChi [?]:
InChI=1/C9H9ClO2/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,11,4,2,10,6,12,3,5/rA:12nCCOCOCCCCCCCl/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.90598
Area:358.72
Solvation:-4.06202
Coulombic:-14.0535
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.619
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.21
LogP (Chemaxon):2.4

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue