Chemical ID: 4119515

c1cc(c(c(c1)Br)C(=O)O)F
Chemical ID:
4119515
Name [?]:
2-bromo-6-fluoro-benzoic acid
SMILES [?]:
c1cc(c(c(c1)Br)C(=O)O)F
InChi [?]:
InChI=1/C7H4BrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,6,2,5,3,4,8,7,11,9,10/E:(10,11)/rA:11nCCCCCCBrCOOF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4BrFO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.25148
Area:302.365
Solvation:-2.30764
Coulombic:-30.9113
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