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Chemical ID: 6665686
Chemical ID:
6665686
Name [?]:
2-chloroethyl (2-methoxyphenyl)aminoformate
SMILES [?]:
COc1ccccc1NC(=O)OCCCl
InChi [?]:
InChI=1/C10H12ClNO3/c1-14-9-5-3-2-4-8(9)12-10(13)15-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,14,13,8,3,10,15,9,11,2,12/rA:15nCOCCCCCCNCOOCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27905 |
Area: | 413.092 |
Solvation: | -3.04825 |
Coulombic: | -41.565 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 229.66 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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