Chemical ID: 4117116

c1c(cc(cc1F)F)CBr
Chemical ID:
4117116
Name [?]:
1-(bromomethyl)-3,5-difluoro-benzene
SMILES [?]:
c1c(cc(cc1F)F)CBr
InChi [?]:
InChI=1/C7H5BrF2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChi Info:
AuxInfo=1/0/N:1,3,5,9,2,6,4,10,7,8/E:(1,2)(6,7)(9,10)/rA:10nCCCCCCFFCBr/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5BrF2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.78606
Area:288.211
Solvation:-2.41922
Coulombic:-7.50065
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.015
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.14
LogP (Chemaxon):3.0

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Descriptor Annotations

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