Chemical ID: 4192836

c1cc(cc(c1)[N+](=O)[O-])NC(=O)COc2ccc(cc2)Br
Chemical ID:
4192836
Name [?]:
2-(4-bromophenoxy)-N-(3-nitrophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])NC(=O)COc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H11BrN2O4/c15-10-4-6-13(7-5-10)21-9-14(18)16-11-2-1-3-12(8-11)17(19)20/h1-8H,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,19,16,20,4,13,18,3,5,15,11,21,10,7,12,8,9,14/E:(4,5)(6,7)(19,20)/CRV:17.5/rA:21nCCCCCCN+OO-NCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrN2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.2775
Area:504.682
Solvation:-9.33955
Coulombic:-39.4748
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.152
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.24
LogP (Chemaxon):3.62

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