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Chemical ID: 7088089
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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