Chemical ID: 4237744

Cc1cc(c(cc1C)Br)NC(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
4237744
Name [?]:
N-(2-bromo-4,5-dimethyl-phenyl)-3-nitro-benzamide
SMILES [?]:
Cc1cc(c(cc1C)Br)NC(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13BrN2O3/c1-9-6-13(16)14(7-10(9)2)17-15(19)11-4-3-5-12(8-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:8,1,15,14,16,6,3,18,7,2,13,17,5,4,11,9,10,19,12,20,21/E:(20,21)/CRV:18.5/rA:21nCCCCCCCCBrNCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.95625
Area:494.031
Solvation:-7.39452
Coulombic:-33.2394
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.179
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.43
LogP (Chemaxon):4.13

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