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Chemical ID: 6377106
Chemical ID:
6377106
Name [?]:
N-(2-bromo-4-methyl-phenyl)-4-chloro-3-nitro-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C14H10BrClN2O3/c1-8-2-5-12(10(15)6-8)17-14(19)9-3-4-11(16)13(7-9)18(20)21/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,4,7,17,2,12,6,15,5,16,10,8,21,9,18,11,19,20/E:(20,21)/CRV:18.5/rA:21nCCCCCCCBrNCOCCCCCCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrClN2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.74024 |
Area: | 496.955 |
Solvation: | -7.68362 |
Coulombic: | -32.3264 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.598 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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