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23784-96-5

23784-96-5 | 2-Chloro-5-(chloromethyl)thiophene

CAS No: 23784-96-5 Catalog No: AG003GYE MDL No:MFCD00009764

Product Description

Catalog Number:
AG003GYE
Chemical Name:
2-Chloro-5-(chloromethyl)thiophene
CAS Number:
23784-96-5
Molecular Formula:
C5H4Cl2S
Molecular Weight:
167.0563
MDL Number:
MFCD00009764
IUPAC Name:
2-chloro-5-(chloromethyl)thiophene
InChI:
InChI=1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
InChI Key:
MQTKXCOGYOYAMW-UHFFFAOYSA-N
SMILES:
ClCc1ccc(s1)Cl

Properties

Complexity:
76.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.941g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.047g/mol
Monoisotopic Mass:
165.941g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Literature

Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601

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