Chemical ID: 7323935

Cc1cc(cc(c1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Br)C
Chemical ID:
7323935
Name [?]:
4-bromo-N-(3,5-dimethylphenyl)-3-nitro-benzamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Br)C
InChi [?]:
InChI=1/C15H13BrN2O3/c1-9-5-10(2)7-12(6-9)17-15(19)11-3-4-13(16)14(8-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,21,12,13,3,7,5,16,2,4,11,6,14,15,9,20,8,17,10,18,19/E:(1,2)(6,7)(9,10)(20,21)/CRV:18.5/rA:21nCCCCCCCNCOCCCCCCN+OO-BrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O3
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.49646
Area:490.593
Solvation:-7.76836
Coulombic:-31.9278
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):4.78

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