Chemical ID: 6517085

c1cc(c(cc1[N+](=O)[O-])NC(=O)CBr)F
Chemical ID:
6517085
Name [?]:
2-bromo-N-(2-fluoro-5-nitro-phenyl)-acetamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])NC(=O)CBr)F
InChi [?]:
InChI=1/C8H6BrFN2O3/c9-4-8(13)11-7-3-5(12(14)15)1-2-6(7)10/h1-3H,4H2,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,13,6,3,4,11,14,15,10,7,12,8,9/E:(14,15)/CRV:12.5/rA:15nCCCCCCN+OO-NCOCBrF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;d11;s11;s13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6BrFN2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:1.28532
Area:379.403
Solvation:-8.19975
Coulombic:-33.3879
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.047
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.78
LogP (Chemaxon):1.47

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