Chemical ID: 4118841

c1cc(c(cc1Cl)C(=O)O)Br
Chemical ID:
4118841
Name [?]:
2-bromo-5-chloro-benzoic acid
SMILES [?]:
c1cc(c(cc1Cl)C(=O)O)Br
InChi [?]:
InChI=1/C7H4BrClO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,11,7,9,10/E:(10,11)/rA:11nCCCCCCClCOOBr/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4BrClO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.65289
Area:327.57
Solvation:-1.53637
Coulombic:-28.1547
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:235.462
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.06
LogP (Chemaxon):2.87

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