ChemDB: Chemical Search
Download
Chemical ID: 6943462
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|