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1379363-71-9

1379363-71-9 | 2-(3,4-Difluoro-5-methoxyphenyl)ethanethiol

CAS No: 1379363-71-9 Catalog No: AG01FAYG MDL No:

Product Description

Catalog Number:
AG01FAYG
Chemical Name:
2-(3,4-Difluoro-5-methoxyphenyl)ethanethiol
CAS Number:
1379363-71-9
Molecular Formula:
C9H10F2OS
Molecular Weight:
204.2369
IUPAC Name:
2-(3,4-difluoro-5-methoxyphenyl)ethanethiol
InChI:
InChI=1S/C9H10F2OS/c1-12-8-5-6(2-3-13)4-7(10)9(8)11/h4-5,13H,2-3H2,1H3
InChI Key:
OZWYTJLSZIPKNK-UHFFFAOYSA-N
SMILES:
SCCc1cc(OC)c(c(c1)F)F

Properties

Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.235g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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