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Chemical ID: 6674990
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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