Chemical ID: 5871429

c1cc(cc(c1)F)COc2cc(c(cc2Cl)Cl)N
Chemical ID:
5871429
Name [?]:
2,4-dichloro-5-[(3-fluorophenyl)methoxy]aniline
SMILES [?]:
c1cc(cc(c1)F)COc2cc(c(cc2Cl)Cl)N
InChi [?]:
InChI=1/C13H10Cl2FNO/c14-10-5-11(15)13(6-12(10)17)18-7-8-2-1-3-9(16)4-8/h1-6H,7,17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,4,14,11,8,3,5,13,15,12,10,17,16,7,18,9/rA:18nCCCCCCFCOCCCCCCClClN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10Cl2FNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.18106
Area:457.49
Solvation:-3.2562
Coulombic:-29.5242
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:4.24
LogP (Chemaxon):3.96

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Descriptor Annotations

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