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Chemical ID: 4679787
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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