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Chemical ID: 6525059
Chemical ID:
6525059
Name [?]:
3,5-dichloro-N-(2-fluoro-5-nitro-phenyl)-benzamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])NC(=O)c2cc(cc(c2)Cl)Cl)F
InChi [?]:
InChI=1/C13H7Cl2FN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-12-6-10(18(20)21)1-2-11(12)16/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,16,5,13,15,17,6,3,4,11,20,19,21,10,7,12,8,9/E:(3,4)(8,9)(14,15)(20,21)/CRV:18.5/rA:21nCCCCCCN+OO-NCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl2FN2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.72109 |
Area: | 502.45 |
Solvation: | -7.84016 |
Coulombic: | -36.3727 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 329.11 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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