Chemical ID: 7087763

c1cc(sc1C(=O)CCl)Br
Chemical ID:
7087763
Name [?]:
1-(5-bromo-2-thienyl)-2-chloro-ethanone
SMILES [?]:
c1cc(sc1C(=O)CCl)Br
InChi [?]:
InChI=1/C6H4BrClOS/c7-6-2-1-5(10-6)4(9)3-8/h1-2H,3H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,5,3,10,9,7,4/rA:10nCCCSCCOCClBr/rB:s1;d2;s3;d1s4;s5;d6;s6;s8;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4BrClOS
All Atoms:14
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.57458
Area:340.488
Solvation:-1.93762
Coulombic:-8.59356
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.518
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.55
LogP (Chemaxon):2.08

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Descriptor Annotations

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