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1443320-83-9 | Methyl 5-(2-chloro-5-thienyl)-3-methyl-5-oxovalerate
CAS No: 1443320-83-9 Catalog No: AG01F8JV MDL No:
Product Description
Catalog Number:
AG01F8JV
Chemical Name:
Methyl 5-(2-chloro-5-thienyl)-3-methyl-5-oxovalerate
CAS Number:
1443320-83-9
Molecular Formula:
C11H13ClO3S
Molecular Weight:
260.7371
IUPAC Name:
methyl 5-(5-chlorothiophen-2-yl)-3-methyl-5-oxopentanoate
InChI:
InChI=1S/C11H13ClO3S/c1-7(6-11(14)15-2)5-8(13)9-3-4-10(12)16-9/h3-4,7H,5-6H2,1-2H3
InChI Key:
PRRBHYLRVNYNCY-UHFFFAOYSA-N
SMILES:
CC(CC(=O)OC)CC(=O)c1ccc(s1)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.732g/mol
Monoisotopic Mass:
260.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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