Chemical ID: 4115411

c1c(cc(c(c1F)F)F)Br
Chemical ID:
4115411
Name [?]:
5-bromo-1,2,3-trifluoro-benzene
SMILES [?]:
c1c(cc(c(c1F)F)F)Br
InChi [?]:
InChI=1/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChi Info:
AuxInfo=1/0/N:1,3,2,6,4,5,10,7,9,8/E:(1,2)(4,5)(8,9)/rA:10nCCCCCCFFFBr/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H2BrF3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:3.56792
Area:270.188
Solvation:-3.18679
Coulombic:-10.216
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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Descriptor Annotations

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