Chemical ID: 5189076

c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)Oc2ccc(cc2Cl)Cl
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

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Descriptor Annotations

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