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Chemical ID: 6517085
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
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Experimental Annotations
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Descriptor Annotations
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