Chemical ID: 5650647

c1c(cc(cc1F)F)C(=CO)C=O
Chemical ID:
5650647
Name [?]:
2-(3,5-difluorophenyl)-3-hydroxy-prop-2-enal
SMILES [?]:
c1c(cc(cc1F)F)C(=CO)C=O
InChi [?]:
InChI=1/C9H6F2O2/c10-8-1-6(2-9(11)3-8)7(4-12)5-13/h1-5,12H
InChi Info:
AuxInfo=1/0/N:1,3,5,10,12,2,9,6,4,7,8,11,13/E:(1,2)(8,9)(10,11)/rA:13nCCCCCCFFCCOCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;w9;s10;s9;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6F2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:3.26662
Area:324.518
Solvation:-4.84634
Coulombic:-28.6725
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:184.14
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.14
LogP (Chemaxon):1.15

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