Chemical ID: 4115123

c1cc(c(cc1C(F)(F)F)CBr)Cl
Chemical ID:
4115123
Name [?]:
2-(bromomethyl)-1-chloro-4-(trifluoromethyl)benzene
SMILES [?]:
c1cc(c(cc1C(F)(F)F)CBr)Cl
InChi [?]:
InChI=1/C8H5BrClF3/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,4,6,3,7,12,13,8,9,10/E:(11,12,13)/rA:13nCCCCCCCFFFCBrCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5BrClF3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.12236
Area:346.701
Solvation:-1.54516
Coulombic:-20.2719
Bond Count [?]
All:13
Single:10
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.477
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.37
LogP (Chemaxon):4.12

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Descriptor Annotations

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