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Chemical ID: 4197883
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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