Chemical ID: 4431414

c1ccc(cc1)COc2c(cc(cc2Cl)C=NO)Cl
Chemical ID:
4431414
Name [?]:
4-benzyloxy-3,5-dichloro-benzaldehyde oxime
SMILES [?]:
c1ccc(cc1)COc2c(cc(cc2Cl)C=NO)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c15-12-6-11(8-17-18)7-13(16)14(12)19-9-10-4-2-1-3-5-10/h1-8,18H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,13,16,7,4,12,10,14,9,19,15,17,18,8/E:(2,3)(4,5)(6,7)(12,13)(15,16)/rA:19nCCCCCCCOCCCCCCClCNOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;w16;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11Cl2NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.58318
Area:469.135
Solvation:-3.14519
Coulombic:-23.2385
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:296.148
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.83
LogP (Chemaxon):4.24

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