Home Halogens methyl 4-(chloromethyl)-5-methylthiophene-2-carboxylate

methyl 4-(chloromethyl)-5-methylthiophene-2-carboxylate

CAS No.:
28686-93-3
Catalog Number:
AG019UV7
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
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Product Description
Catalog Number:
AG019UV7
Chemical Name:
methyl 4-(chloromethyl)-5-methylthiophene-2-carboxylate
CAS Number:
28686-93-3
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
MDL Number:
MFCD17976953
IUPAC Name:
methyl 4-(chloromethyl)-5-methylthiophene-2-carboxylate
InChI:
InChI=1S/C8H9ClO2S/c1-5-6(4-9)3-7(12-5)8(10)11-2/h3H,4H2,1-2H3
InChI Key:
HXVNRRSHOFMWMG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(s1)C)CCl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.001g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.668g/mol
Monoisotopic Mass:
204.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties