Chemical ID: 6943462

c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccc(cc2F)F)Br
Chemical ID:
6943462
Name [?]:
2-bromo-N-(2,4-difluorophenyl)-5-nitro-benzamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccc(cc2F)F)Br
InChi [?]:
InChI=1/C13H7BrF2N2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-12-4-1-7(15)5-11(12)16/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:15,1,2,14,17,5,16,6,4,3,18,13,10,21,20,19,12,7,11,8,9/E:(20,21)/CRV:18.5/rA:21nCCCCCCN+OO-CONCCCCCCFFBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7BrF2N2O3
All Atoms:28
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:2.22345
Area:460.821
Solvation:-9.29708
Coulombic:-37.89
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:357.107
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.88
LogP (Chemaxon):3.48

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