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Chemical ID: 6669745
Chemical ID:
6669745
Name [?]:
(4-chloro-3,5-dimethyl-phenyl) (2-methoxy-4-nitro-phenyl)aminoformate
SMILES [?]:
Cc1cc(cc(c1Cl)C)OC(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15ClN2O5/c1-9-6-12(7-10(2)15(9)17)24-16(20)18-13-5-4-11(19(21)22)8-14(13)23-3/h4-8H,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,9,21,16,15,3,5,18,2,6,17,4,14,19,7,11,8,13,22,12,23,24,20,10/E:(1,2)(6,7)(9,10)(21,22)/CRV:19.5/rA:24nCCCCCCCClCOCONCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.21483 |
Area: | 551.515 |
Solvation: | -7.57304 |
Coulombic: | -52.3273 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.753 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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