Chemical ID: 4115929

c1c(cc(c(c1CBr)F)F)F
Chemical ID:
4115929
Name [?]:
1-(bromomethyl)-2,3,5-trifluoro-benzene
SMILES [?]:
c1c(cc(c(c1CBr)F)F)F
InChi [?]:
InChI=1/C7H4BrF3/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
InChi Info:
AuxInfo=1/0/N:1,3,7,6,2,4,5,8,11,10,9/rA:11nCCCCCCCBrFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s5;s4;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4BrF3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.95992
Area:293.431
Solvation:-3.37586
Coulombic:-10.1072
Bond Count [?]
All:11
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:225.006
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.31
LogP (Chemaxon):3.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue