Chemical ID: 4731810

CC(=O)c1cc(cs1)Br
Chemical ID:
4731810
Name [?]:
1-(4-bromo-2-thienyl)ethanone
SMILES [?]:
CC(=O)c1cc(cs1)Br
InChi [?]:
InChI=1/C6H5BrOS/c1-4(8)6-2-5(7)3-9-6/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,2,6,4,9,3,8/rA:9nCCOCCCCSBr/rB:s1;d2;s2;d4;s5;d6;s4s7;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5BrOS
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.14956
Area:301.885
Solvation:-1.39757
Coulombic:-8.18314
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:1.6
LogP (Chemaxon):1.56

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Descriptor Annotations

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