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Chemical ID: 4287521
Chemical ID:
4287521
Name [?]:
2-[3-(2,4-dichlorophenoxy)propyl]-4,4-dimethyl-5H-oxazole
SMILES [?]:
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
InChi [?]:
InChI=1/C14H17Cl2NO2/c1-14(2)9-19-13(17-14)4-3-7-18-12-6-5-10(15)8-11(12)16/h5-6,8H,3-4,7,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,8,7,13,12,9,15,3,14,16,11,5,2,18,17,6,10,4/E:(1,2)/rA:19nCCCOCNCCCOCCCCCCClClC/rB:s1;s2;s3;s4;s2d5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18513 |
Area: | 510.283 |
Solvation: | -3.57194 |
Coulombic: | -21.9367 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.196 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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