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1379305-99-3

1379305-99-3 | 2-[(sec-Butyloxy)methyl]-4-fluorothiophenol

CAS No: 1379305-99-3 Catalog No: AG01FAYD MDL No:

Product Description

Catalog Number:
AG01FAYD
Chemical Name:
2-[(sec-Butyloxy)methyl]-4-fluorothiophenol
CAS Number:
1379305-99-3
Molecular Formula:
C11H15FOS
Molecular Weight:
214.2996
IUPAC Name:
2-(butan-2-yloxymethyl)-4-fluorobenzenethiol
InChI:
InChI=1S/C11H15FOS/c1-3-8(2)13-7-9-6-10(12)4-5-11(9)14/h4-6,8,14H,3,7H2,1-2H3
InChI Key:
ZGPPCPRUSNLLDC-UHFFFAOYSA-N
SMILES:
CC(OCc1cc(F)ccc1S)CC

Properties

Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.083g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.298g/mol
Monoisotopic Mass:
214.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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