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Chemical ID: 7511713
Chemical ID:
7511713
Name [?]:
N-(2-bromo-4-nitro-phenyl)-2,4-dichloro-benzamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])Br)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C13H7BrCl2N2O3/c14-10-6-8(18(20)21)2-4-12(10)17-13(19)9-3-1-7(15)5-11(9)16/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:16,1,15,2,18,5,17,6,14,4,19,3,12,10,21,20,11,7,13,8,9/E:(20,21)/CRV:18.5/rA:21nCCCCCCN+OO-BrNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7BrCl2N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.31708 |
Area: | 512.317 |
Solvation: | -7.49085 |
Coulombic: | -32.8011 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.8 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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