Chemical ID: 6943297

c1cc(c(cc1NC(=O)c2cc(ccc2Br)[N+](=O)[O-])Cl)F
Chemical ID:
6943297
Name [?]:
2-bromo-N-(3-chloro-4-fluoro-phenyl)-5-nitro-benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2cc(ccc2Br)[N+](=O)[O-])Cl)F
InChi [?]:
InChI=1/C13H7BrClFN2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-7-1-4-12(16)11(15)5-7/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,13,14,2,5,11,6,12,10,15,4,3,8,16,20,21,7,17,9,18,19/E:(20,21)/CRV:18.5/rA:21nCCCCCCNCOCCCCCCBrN+OO-ClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;d17;s17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7BrClFN2O3
All Atoms:28
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.17282
Area:487.834
Solvation:-9.02302
Coulombic:-34.47
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.561
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.34
LogP (Chemaxon):4.51

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Descriptor Annotations

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