Chemical ID: 6943721

c1cc(cc(c1)F)NC(=O)c2cc(ccc2Br)[N+](=O)[O-]
Chemical ID:
6943721
Name [?]:
2-bromo-N-(3-fluorophenyl)-5-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)c2cc(ccc2Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H8BrFN2O3/c14-12-5-4-10(17(19)20)7-11(12)13(18)16-9-3-1-2-8(15)6-9/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,6,2,14,15,4,12,5,3,13,11,16,9,17,7,8,18,10,19,20/E:(19,20)/CRV:17.5/rA:20nCCCCCCFNCOCCCCCCBrN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s13;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8BrFN2O3
All Atoms:28
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.45505
Area:455.908
Solvation:-8.94265
Coulombic:-34.5178
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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