Chemical ID: 4236478

c1ccc(c(c1)C(=O)Nc2ccc(cc2)Br)[N+](=O)[O-]
Chemical ID:
4236478
Name [?]:
N-(4-bromophenyl)-2-nitro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H9BrN2O3/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16(18)19/h1-8H,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,13,10,5,4,7,16,9,17,8,18,19/E:(5,6)(7,8)(18,19)/CRV:16.5/rA:19nCCCCCCCONCCCCCCBrN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9BrN2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:2.39686
Area:442.761
Solvation:-8.67217
Coulombic:-31.0785
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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