Chemical ID: 6392093

c1ccc(c(c1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])Br
Chemical ID:
6392093
Name [?]:
2-bromo-N-(4-nitrophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])Br
InChi [?]:
InChI=1/C13H9BrN2O3/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(8-6-9)16(18)19/h1-8H,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,15,12,14,10,13,5,4,7,19,9,16,8,17,18/E:(5,6)(7,8)(18,19)/CRV:16.5/rA:19nCCCCCCCONCCCCCCN+OO-Br/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9BrN2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.78165
Area:447.506
Solvation:-7.406
Coulombic:-33.6494
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.126
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.56
LogP (Chemaxon):3.85

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Descriptor Annotations

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