Chemical ID: 6943505

Cc1cccc(c1C)NC(=O)c2cc(ccc2Br)[N+](=O)[O-]
Chemical ID:
6943505
Name [?]:
2-bromo-N-(2,3-dimethylphenyl)-5-nitro-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2cc(ccc2Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13BrN2O3/c1-9-4-3-5-14(10(9)2)17-15(19)12-8-11(18(20)21)6-7-13(12)16/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,15,16,13,2,7,14,12,17,6,10,18,9,19,11,20,21/E:(20,21)/CRV:18.5/rA:21nCCCCCCCCNCOCCCCCCBrN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O3
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.14816
Area:482.438
Solvation:-7.91278
Coulombic:-31.4702
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:4.22
LogP (Chemaxon):4.13

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