Chemical ID: 6425945

c1ccc(cc1)c2cc(on2)Cl
Chemical ID:
6425945
Name [?]:
5-chloro-3-phenyl-isoxazole
SMILES [?]:
c1ccc(cc1)c2cc(on2)Cl
InChi [?]:
InChI=1/C9H6ClNO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,4,7,9,12,11,10/E:(2,3)(4,5)/rA:12nCCCCCCCCCONCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6ClNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.85788
Area:340.346
Solvation:-1.65077
Coulombic:-6.69062
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:179.603
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.23
LogP (Chemaxon):2.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue