Chemical ID: 4197883

c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl)Br
Chemical ID:
4197883
Name [?]:
2-bromo-N-(3,5-dichlorophenyl)-5-nitro-benzamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl)Br
InChi [?]:
InChI=1/C13H7BrCl2N2O3/c14-12-2-1-10(18(20)21)6-11(12)13(19)17-9-4-7(15)3-8(16)5-9/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,14,18,5,15,17,13,6,4,3,10,21,20,19,12,7,11,8,9/E:(4,5)(7,8)(15,16)(20,21)/CRV:18.5/rA:21nCCCCCCN+OO-CONCCCCCCClClBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7BrCl2N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.85153
Area:517.708
Solvation:-8.09117
Coulombic:-31.4325
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.016
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.8
LogP (Chemaxon):4.88

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