Chemical ID: 4119534

c1cc(c(cc1C(=O)O)Br)F
Chemical ID:
4119534
Name [?]:
3-bromo-4-fluoro-benzoic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)Br)F
InChi [?]:
InChI=1/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,7,10,11,8,9/E:(10,11)/rA:11nCCCCCCCOOBrF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4BrFO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.40277
Area:309.005
Solvation:-2.32236
Coulombic:-31.3087
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:219.008
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.6
LogP (Chemaxon):2.49

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