Chemical ID: 6520100

c1cc(c(cc1[NH3+])Cl)F
Chemical ID:
6520100
Name [?]:
(3-chloro-4-fluoro-phenyl)ammonium
SMILES [?]:
c1cc(c(cc1[NH3+])Cl)F
InChi [?]:
InChI=1/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,9,7/rA:9nCCCCCCN+ClF/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6ClFN+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-36.944
Area:278.815
Solvation:-43.9143
Coulombic:44.3696
Bond Count [?]
All:9
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:146.57
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.99
LogP (Chemaxon):1.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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