Chemical ID: 6668206

Cc1ccc(cc1NC(=O)Oc2ccc(cc2Cl)OC)[N+](=O)[O-]
Chemical ID:
6668206
Name [?]:
(2-chloro-4-methoxy-phenyl) (2-methyl-5-nitro-phenyl)aminoformate
SMILES [?]:
Cc1ccc(cc1NC(=O)Oc2ccc(cc2Cl)OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13ClN2O5/c1-9-3-4-10(18(20)21)7-13(9)17-15(19)23-14-6-5-11(22-2)8-12(14)16/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,3,4,14,13,6,16,2,5,15,17,7,12,9,18,8,21,10,22,23,19,11/E:(20,21)/CRV:18.5/rA:23nCCCCCCCNCOOCCCCCCClOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s19;s5;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.9856
Area:527.532
Solvation:-8.20271
Coulombic:-52.1846
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.727
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.54
LogP (Chemaxon):4.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue