Chemical ID: 6322639

c1cc(c(cc1Br)F)NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6322639
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-3,5-dinitro-benzamide
SMILES [?]:
c1cc(c(cc1Br)F)NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C13H7BrFN3O5/c14-8-1-2-12(11(15)5-8)16-13(19)7-3-9(17(20)21)6-10(4-7)18(22)23/h1-6H,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,13,17,5,15,12,6,14,16,4,3,10,7,8,9,21,18,11,22,23,19,20/E:(3,4)(9,10)(17,18)(20,21,22,23)/CRV:17.5,18.5/rA:23nCCCCCCBrFNCOCCCCCCN+OO-N+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s14;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7BrFN3O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-2.10073
Area:516.9
Solvation:-15.0232
Coulombic:-41.1702
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.114
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.49
LogP (Chemaxon):3.29

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