Home Halogens Methyl 5-chlorobenzo[b]thiophene-2-carboxylate

Methyl 5-chlorobenzo[b]thiophene-2-carboxylate

CAS No.:
35212-96-5
Catalog Number:
AG00380V
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
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Product Description
Catalog Number:
AG00380V
Chemical Name:
Methyl 5-chlorobenzo[b]thiophene-2-carboxylate
CAS Number:
35212-96-5
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
MDL Number:
MFCD09027104
IUPAC Name:
methyl 5-chloro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7ClO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
InChI Key:
FEUIEMHKEHSOCU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)ccc(c2)Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.674g/mol
Monoisotopic Mass:
225.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties