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Chemical ID: 6676699
Chemical ID:
6676699
Name [?]:
(4-chloro-2-methyl-phenyl) o-tolylaminoformate
SMILES [?]:
Cc1ccccc1NC(=O)Oc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C15H14ClNO2/c1-10-5-3-4-6-13(10)17-15(18)19-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,4,5,3,6,14,13,16,2,17,15,7,12,9,19,8,10,11/rA:19nCCCCCCCNCOOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4095 |
Area: | 465.421 |
Solvation: | -1.22606 |
Coulombic: | -35.823 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.09 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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