Chemical ID: 6505455

CC(=O)c1csc2c1cc(cc2)Br
Chemical ID:
6505455
Name [?]:
1-(5-bromobenzothiophen-3-yl)ethanone
SMILES [?]:
CC(=O)c1csc2c1cc(cc2)Br
InChi [?]:
InChI=1/C10H7BrOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,9,5,2,10,8,4,7,13,3,6/rA:13nCCOCCSCCCCCCBr/rB:s1;d2;s2;d4;s5;s6;s4s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7BrOS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.30673
Area:358.218
Solvation:-1.64873
Coulombic:-8.7433
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:255.132
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.35
LogP (Chemaxon):3.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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