Chemical ID: 6680120

c1cc(c(c(c1)Br)N)F
Chemical ID:
6680120
Name [?]:
2-bromo-6-fluoro-aniline
SMILES [?]:
c1cc(c(c(c1)Br)N)F
InChi [?]:
InChI=1/C6H5BrFN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChi Info:
AuxInfo=1/0/N:1,6,2,5,3,4,7,9,8/rA:9nCCCCCCBrNF/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5BrFN
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.38
Area:271.155
Solvation:-1.39887
Coulombic:-21.7395
Bond Count [?]
All:9
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:190.013
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.16
LogP (Chemaxon):2.19

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Experimental Annotations

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Descriptor Annotations

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