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Chemical ID: 4735897

Chemical ID:

4735897

Name [?]:

1-amino-2-(2,6-dichlorophenoxy)-ethanone oxime

SMILES [?]:

c1cc(c(c(c1)Cl)OCC(=NO)N)Cl

InChi [?]:

InChI=1/C8H8Cl2N2O2/c9-5-2-1-3-6(10)8(5)14-4-7(11)12-13/h1-3,13H,4H2,(H2,11,12)

InChi Info:

AuxInfo=1/1/N:1,2,6,9,3,5,10,4,14,7,13,11,12,8/E:(2,3)(5,6)(9,10)/rA:14nCCCCCCClOCCNONCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;w10;s11;s10;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₈H₈Cl₂N₂O₂
All Atoms:	14
Heavy Atoms:	14
Chiral Atoms:	0

ZAP Information [?]

Total:	6.23243
Area:	383.285
Solvation:	-3.34971
Coulombic:	-37.6507

Bond Count [?]

All:	14
Single:	10
Double:	4
Rotors:	3
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	235.067
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	2.39
LogP (Chemaxon):	1.64

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value