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Chemical ID: 4694084
Chemical ID:
4694084
Name [?]:
4-[(2,6-dichlorophenyl)methoxy]-2-fluoro-aniline
SMILES [?]:
c1cc(c(c(c1)Cl)COc2ccc(c(c2)F)N)Cl
InChi [?]:
InChI=1/C13H10Cl2FNO/c14-10-2-1-3-11(15)9(10)7-18-8-4-5-13(17)12(16)6-8/h1-6H,7,17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,15,8,10,4,3,5,14,13,18,7,16,17,9/E:(2,3)(10,11)(14,15)/rA:18nCCCCCCClCOCCCCCCFNCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl2FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24189 |
Area: | 446.379 |
Solvation: | -2.91759 |
Coulombic: | -30.0096 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.128 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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