Chemical ID: 6674990

Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)Oc2ccc(cc2Cl)Cl
Chemical ID:
6674990
Name [?]:
(2,4-dichlorophenyl) (4-methyl-2-nitro-phenyl)aminoformate
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2O4/c1-8-2-4-11(12(6-8)18(20)21)17-14(19)22-13-5-3-9(15)7-10(13)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,17,4,16,7,19,2,18,20,5,6,15,12,22,21,11,8,13,9,10,14/E:(20,21)/CRV:18.5/rA:22nCCCCCCCN+OO-NCOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.82001
Area:519.683
Solvation:-6.17205
Coulombic:-47.8612
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:341.146
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.11
LogP (Chemaxon):5.14

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