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1443350-41-1

1443350-41-1 | 3,5-Difluoro-4-iso-pentyloxythiophenol

CAS No: 1443350-41-1 Catalog No: AG01FCSB MDL No:

Product Description

Catalog Number:
AG01FCSB
Chemical Name:
3,5-Difluoro-4-iso-pentyloxythiophenol
CAS Number:
1443350-41-1
Molecular Formula:
C11H14F2OS
Molecular Weight:
232.2901
IUPAC Name:
3,5-difluoro-4-(3-methylbutoxy)benzenethiol
InChI:
InChI=1S/C11H14F2OS/c1-7(2)3-4-14-11-9(12)5-8(15)6-10(11)13/h5-7,15H,3-4H2,1-2H3
InChI Key:
IOHRKUJXONYVFW-UHFFFAOYSA-N
SMILES:
CC(CCOc1c(F)cc(cc1F)S)C

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.073g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.289g/mol
Monoisotopic Mass:
232.073g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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