Chemical ID: 6177388

c1cc(ccc1NC(=O)c2ccc(cc2F)Br)[N+](=O)[O-]
Chemical ID:
6177388
Name [?]:
4-bromo-2-fluoro-N-(4-nitrophenyl)-benzamide
SMILES [?]:
c1cc(ccc1NC(=O)c2ccc(cc2F)Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H8BrFN2O3/c14-8-1-6-11(12(15)7-8)13(18)16-9-2-4-10(5-3-9)17(19)20/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:12,1,5,2,4,11,14,13,6,3,10,15,8,17,16,7,18,9,19,20/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:20nCCCCCCNCOCCCCCCFBrN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8BrFN2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.82178
Area:463.225
Solvation:-8.75884
Coulombic:-35.4676
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.117
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):3.99

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Descriptor Annotations

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