Chemical ID: 6969362

Cc1cc(ccc1NC(=O)COc2ccc(cc2)Br)[N+](=O)[O-]
Chemical ID:
6969362
Name [?]:
2-(4-bromophenoxy)-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2ccc(cc2)Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13BrN2O4/c1-10-8-12(18(20)21)4-7-14(10)17-15(19)9-22-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,15,17,5,14,18,6,3,11,2,16,4,13,7,9,19,8,20,10,21,22,12/E:(2,3)(5,6)(20,21)/CRV:18.5/rA:22nCCCCCCCNCOCOCCCCCCBrN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O4
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.74585
Area:521.741
Solvation:-9.29768
Coulombic:-39.4278
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.179
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.47
LogP (Chemaxon):3.44

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