Chemical ID: 4115400

c1c(c(cc(c1F)Br)F)F
Chemical ID:
4115400
Name [?]:
1-bromo-2,4,5-trifluoro-benzene
SMILES [?]:
c1c(c(cc(c1F)Br)F)F
InChi [?]:
InChI=1/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChi Info:
AuxInfo=1/0/N:4,1,5,6,3,2,8,7,9,10/rA:10nCCCCCCFBrFF/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H2BrF3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:3.47389
Area:269.05
Solvation:-3.25236
Coulombic:-9.56325
Bond Count [?]
All:10
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:210.979
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.3
LogP (Chemaxon):3.26

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Experimental Annotations

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Descriptor Annotations

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