Home Halogens 4,5-bis(chloromethyl)thiophene-2-carboxylic acid

4,5-bis(chloromethyl)thiophene-2-carboxylic acid

CAS No.:
864174-03-8
Catalog Number:
AG01BC44
Molecular Formula:
C7H6Cl2O2S
Molecular Weight:
225.0923
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Product Description
Catalog Number:
AG01BC44
Chemical Name:
4,5-bis(chloromethyl)thiophene-2-carboxylic acid
CAS Number:
864174-03-8
Molecular Formula:
C7H6Cl2O2S
Molecular Weight:
225.0923
MDL Number:
MFCD00512747
IUPAC Name:
4,5-bis(chloromethyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C7H6Cl2O2S/c8-2-4-1-5(7(10)11)12-6(4)3-9/h1H,2-3H2,(H,10,11)
InChI Key:
QIRHWXQAUDKNDV-UHFFFAOYSA-N
SMILES:
ClCc1sc(cc1CCl)C(=O)O
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.947g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.083g/mol
Monoisotopic Mass:
223.947g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties