Chemical ID: 4679787

c1ccc(c(c1)[N+](=O)[O-])OCC(=O)Nc2ccc(cc2)Br
Chemical ID:
4679787
Name [?]:
N-(4-bromophenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H11BrN2O4/c15-10-5-7-11(8-6-10)16-14(18)9-21-13-4-2-1-3-12(13)17(19)20/h1-8H,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,19,16,20,11,18,15,5,4,12,21,14,7,13,8,9,10/E:(5,6)(7,8)(19,20)/CRV:17.5/rA:21nCCCCCCN+OO-OCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;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:0.241339
Area:492.193
Solvation:-12.0635
Coulombic:-37.2852
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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