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1097167-77-5 | Methyl 2-(2,6-dichlorophenyl)sulfanylacetate
CAS No: 1097167-77-5 Catalog No: AG01FAJN MDL No:MFCD11641638
Product Description
Catalog Number:
AG01FAJN
Chemical Name:
Methyl 2-(2,6-dichlorophenyl)sulfanylacetate
CAS Number:
1097167-77-5
Molecular Formula:
C9H8Cl2O2S
Molecular Weight:
251.1296
MDL Number:
MFCD11641638
IUPAC Name:
methyl 2-(2,6-dichlorophenyl)sulfanylacetate
InChI:
InChI=1S/C9H8Cl2O2S/c1-13-8(12)5-14-9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3
InChI Key:
DVMFKJNFTDWVBP-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1c(Cl)cccc1Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.962g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.121g/mol
Monoisotopic Mass:
249.962g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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