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Chemical ID: 4721969
Chemical ID:
4721969
Name [?]:
2-butyl-5-chloro-benzooxazole
SMILES [?]:
CCCCc1nc2cc(ccc2o1)Cl
InChi [?]:
InChI=1/C11H12ClNO/c1-2-3-4-11-13-9-7-8(12)5-6-10(9)14-11/h5-7H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,10,11,8,9,7,12,5,14,6,13/rA:14nCCCCCNCCCCCCOCl/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6162 |
Area: | 394.717 |
Solvation: | -1.25174 |
Coulombic: | -14.9729 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.672 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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