Chemical ID: 7323919

c1cc(ccc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])Br)F
Chemical ID:
7323919
Name [?]:
4-bromo-N-(4-fluorophenyl)-3-nitro-benzamide
SMILES [?]:
c1cc(ccc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])Br)F
InChi [?]:
InChI=1/C13H8BrFN2O3/c14-11-6-1-8(7-12(11)17(19)20)13(18)16-10-4-2-9(15)3-5-10/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:11,2,4,1,5,12,15,10,3,6,13,14,8,19,20,7,16,9,17,18/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:20nCCCCCCNCOCCCCCCN+OO-BrF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8BrFN2O3
All Atoms:28
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.68098
Area:455.349
Solvation:-8.70274
Coulombic:-35.0219
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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