Chemical ID: 4287521

CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
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

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