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Chemical ID: 6943505
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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