Chemical ID: 6156245

Cc1c(cccc1F)NC(=O)CCl
Chemical ID:
6156245
Name [?]:
2-chloro-N-(3-fluoro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1c(cccc1F)NC(=O)CCl
InChi [?]:
InChI=1/C9H9ClFNO/c1-6-7(11)3-2-4-8(6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,12,2,7,3,10,13,8,9,11/rA:13nCCCCCCCFNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClFNO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.79796
Area:354.003
Solvation:-3.05211
Coulombic:-23.7786
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:201.625
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.9
LogP (Chemaxon):1.92

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