Chemical ID: 6422656

Cc1cc(c(s1)C=O)Br
Chemical ID:
6422656
Name [?]:
3-bromo-5-methyl-thiophene-2-carbaldehyde
SMILES [?]:
Cc1cc(c(s1)C=O)Br
InChi [?]:
InChI=1/C6H5BrOS/c1-4-2-5(7)6(3-8)9-4/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,2,4,5,9,8,6/rA:9nCCCCCSCOBr/rB:s1;d2;s3;d4;s2s5;s5;d7;s4;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5BrOS
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.6476
Area:304.687
Solvation:-1.96957
Coulombic:-7.24486
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:205.073
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.31
LogP (Chemaxon):1.93

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