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Chemical ID: 5189076
Chemical ID:
5189076
Name [?]:
(2,4-dichlorophenyl) (2-chloro-4-nitro-phenyl)aminoformate
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C13H7Cl3N2O4/c14-7-1-4-12(10(16)5-7)22-13(19)17-11-3-2-8(18(20)21)6-9(11)15/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:17,1,2,16,19,5,18,6,4,20,3,15,12,22,10,21,11,7,13,8,9,14/E:(20,21)/CRV:18.5/rA:22nCCCCCCN+OO-ClNCOOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl3N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.55572 |
Area: | 539.699 |
Solvation: | -6.93677 |
Coulombic: | -45.4597 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 361.564 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.65 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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