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Chemical ID: 6668206
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
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Experimental Annotations
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Descriptor Annotations
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