Chemical ID: 7088089

c1cc2c(cc1F)sc(c2Cl)C(=O)Cl
Chemical ID:
7088089
Name [?]:
3-chloro-6-fluoro-benzothiophene-2-carbonyl chloride
SMILES [?]:
c1cc2c(cc1F)sc(c2Cl)C(=O)Cl
InChi [?]:
InChI=1/C9H3Cl2FOS/c10-7-5-2-1-4(12)3-6(5)14-8(7)9(11)13/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,4,10,9,12,11,14,7,13,8/rA:14nCCCCCCFSCCClCOCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3d9;s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H3Cl2FOS
All Atoms:17
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.99318
Area:368.484
Solvation:-2.21892
Coulombic:-14.4181
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:249.089
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.32
LogP (Chemaxon):3.49

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Descriptor Annotations

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