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121585-21-5 | 2-Thiophenecarboxylic acid, chloromethyl ester
CAS No: 121585-21-5 Catalog No: AG0015BK MDL No:
Product Description
Catalog Number:
AG0015BK
Chemical Name:
2-Thiophenecarboxylic acid, chloromethyl ester
CAS Number:
121585-21-5
Molecular Formula:
C6H5ClO2S
Molecular Weight:
176.6207
IUPAC Name:
chloromethyl thiophene-2-carboxylate
InChI:
InChI=1S/C6H5ClO2S/c7-4-9-6(8)5-2-1-3-10-5/h1-3H,4H2
InChI Key:
MZXRBRZQONZAJP-UHFFFAOYSA-N
SMILES:
ClCOC(=O)c1cccs1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.614g/mol
Monoisotopic Mass:
175.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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