Chemical ID: 5606735

c1cc(ccc1C(=O)Nc2ccc(cc2Br)[N+](=O)[O-])Br
Chemical ID:
5606735
Name [?]:
4-bromo-N-(2-bromo-4-nitro-phenyl)-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2Br)[N+](=O)[O-])Br
InChi [?]:
InChI=1/C13H8Br2N2O3/c14-9-3-1-8(2-4-9)13(18)16-12-6-5-10(17(19)20)7-11(12)15/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,14,6,3,13,15,10,7,20,16,9,17,8,18,19/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:20nCCCCCCCONCCCCCCBrN+OO-Br/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Br2N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.22935
Area:485.439
Solvation:-6.90663
Coulombic:-33.5768
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:400.022
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.36
LogP (Chemaxon):3.99

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