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Home > Fluorides > 1379307-42-2
1379307-42-2 | 4-[(n-Butyloxy)methyl]-3-fluorothiophenol
CAS No: 1379307-42-2 Catalog No: AG01FBM3 MDL No:
Product Description
Catalog Number:
AG01FBM3
Chemical Name:
4-[(n-Butyloxy)methyl]-3-fluorothiophenol
CAS Number:
1379307-42-2
Molecular Formula:
C11H15FOS
Molecular Weight:
214.2996
IUPAC Name:
4-(butoxymethyl)-3-fluorobenzenethiol
InChI:
InChI=1S/C11H15FOS/c1-2-3-6-13-8-9-4-5-10(14)7-11(9)12/h4-5,7,14H,2-3,6,8H2,1H3
InChI Key:
IKNCJBUXUGABGF-UHFFFAOYSA-N
SMILES:
CCCCOCc1ccc(cc1F)S
Properties
Complexity:
154
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:
5
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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