Chemical ID: 6689418

c1cc(c(cc1F)C#N)Br
Chemical ID:
6689418
Name [?]:
2-bromo-5-fluoro-benzonitrile
SMILES [?]:
c1cc(c(cc1F)C#N)Br
InChi [?]:
InChI=1/C7H3BrFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,5,8,4,6,3,10,7,9/rA:10nCCCCCCFCNBr/rB:s1;d2;s3;d4;d1s5;s6;s4;t8;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3BrFN
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.41205
Area:293.533
Solvation:-1.92628
Coulombic:-6.91542
Bond Count [?]
All:10
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:200.008
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.7
LogP (Chemaxon):2.79

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