Chemical ID: 6525059

c1cc(c(cc1[N+](=O)[O-])NC(=O)c2cc(cc(c2)Cl)Cl)F
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

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