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Home > Fluorides > 1379368-13-4
1379368-13-4 | 3-Fluoro-4-[(iso-propyloxy)methyl]thiophenol
CAS No: 1379368-13-4 Catalog No: AG01FANQ MDL No:
Product Description
Catalog Number:
AG01FANQ
Chemical Name:
3-Fluoro-4-[(iso-propyloxy)methyl]thiophenol
CAS Number:
1379368-13-4
Molecular Formula:
C10H13FOS
Molecular Weight:
200.2730
IUPAC Name:
3-fluoro-4-(propan-2-yloxymethyl)benzenethiol
InChI:
InChI=1S/C10H13FOS/c1-7(2)12-6-8-3-4-9(13)5-10(8)11/h3-5,7,13H,6H2,1-2H3
InChI Key:
RAGMUKHTOAPMOC-UHFFFAOYSA-N
SMILES:
CC(OCc1ccc(cc1F)S)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.271g/mol
Monoisotopic Mass:
200.067g/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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