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669757-96-4 | Methyl [(4-fluorobenzyl)sulfanyl]acetate
CAS No: 669757-96-4 Catalog No: AG01FC4U MDL No:MFCD04057535
Product Description
Catalog Number:
AG01FC4U
Chemical Name:
Methyl [(4-fluorobenzyl)sulfanyl]acetate
CAS Number:
669757-96-4
Molecular Formula:
C10H11FO2S
Molecular Weight:
214.2565
MDL Number:
MFCD04057535
IUPAC Name:
methyl 2-[(4-fluorophenyl)methylsulfanyl]acetate
InChI:
InChI=1S/C10H11FO2S/c1-13-10(12)7-14-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChI Key:
NIFNMNTXBNGSBX-UHFFFAOYSA-N
SMILES:
COC(=O)CSCc1ccc(cc1)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.254g/mol
Monoisotopic Mass:
214.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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