Chemical ID: 7511713

c1cc(c(cc1[N+](=O)[O-])Br)NC(=O)c2ccc(cc2Cl)Cl
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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