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137583-58-5 | Ethyl 2-[(2-chlorophenyl)sulfanyl]acetate
CAS No: 137583-58-5 Catalog No: AG01FBLF MDL No:MFCD11174632
Product Description
Catalog Number:
AG01FBLF
Chemical Name:
Ethyl 2-[(2-chlorophenyl)sulfanyl]acetate
CAS Number:
137583-58-5
Molecular Formula:
C10H11ClO2S
Molecular Weight:
230.7111
MDL Number:
MFCD11174632
IUPAC Name:
ethyl 2-(2-chlorophenyl)sulfanylacetate
InChI:
InChI=1S/C10H11ClO2S/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3
InChI Key:
RVLGNQKQFWQUOA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1ccccc1Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.706g/mol
Monoisotopic Mass:
230.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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