Chemical ID: 6667525

c1c(cc(c(c1Br)NC(=O)CBr)Br)F
Chemical ID:
6667525
Name [?]:
2-bromo-N-(2,6-dibromo-4-fluoro-phenyl)-acetamide
SMILES [?]:
c1c(cc(c(c1Br)NC(=O)CBr)Br)F
InChi [?]:
InChI=1/C8H5Br3FNO/c9-3-7(14)13-8-5(10)1-4(12)2-6(8)11/h1-2H,3H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,11,2,6,4,9,5,12,7,13,14,8,10/E:(1,2)(5,6)(10,11)/rA:14nCCCCCCBrNCOCBrBrF/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;d9;s9;s11;s4;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5Br3FNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.3936
Area:381.651
Solvation:-3.14767
Coulombic:-22.2719
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:389.842
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.61
LogP (Chemaxon):2.45

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