Chemical ID: 4230951

COc1cc(ccc1NC(=O)c2cccc(c2Cl)Cl)[N+](=O)[O-]
Chemical ID:
4230951
Name [?]:
2,3-dichloro-N-(2-methoxy-4-nitro-phenyl)-benzamide
SMILES [?]:
COc1cc(ccc1NC(=O)c2cccc(c2Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H10Cl2N2O4/c1-22-12-7-8(18(20)21)5-6-11(12)17-14(19)9-3-2-4-10(15)13(9)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,6,7,4,5,12,16,8,3,17,10,19,18,9,20,11,21,22,2/E:(20,21)/CRV:18.5/rA:22nCOCCCCCCNCOCCCCCCClClN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s16;s5;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.3135
Area:510.42
Solvation:-8.44699
Coulombic:-39.9844
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.146
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.92
LogP (Chemaxon):3.84

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