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1267214-83-4 | Methyl 4-(2-chloro-5-thienyl)-4-oxobutyrate
CAS No: 1267214-83-4 Catalog No: AG01FAWD MDL No:
Product Description
Catalog Number:
AG01FAWD
Chemical Name:
Methyl 4-(2-chloro-5-thienyl)-4-oxobutyrate
CAS Number:
1267214-83-4
Molecular Formula:
C9H9ClO3S
Molecular Weight:
232.6840
IUPAC Name:
methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
InChI:
InChI=1S/C9H9ClO3S/c1-13-9(12)5-2-6(11)7-3-4-8(10)14-7/h3-4H,2,5H2,1H3
InChI Key:
YPYBIPWJLZMOOS-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)c1ccc(s1)Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.678g/mol
Monoisotopic Mass:
231.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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