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Home > Fluorides > 1378573-53-5
1378573-53-5 | 2-Fluoro-6-methoxy-thioanisole
CAS No: 1378573-53-5 Catalog No: AG01FF1K MDL No:MFCD18904713
Product Description
Catalog Number:
AG01FF1K
Chemical Name:
2-Fluoro-6-methoxy-thioanisole
CAS Number:
1378573-53-5
Molecular Formula:
C8H9FOS
Molecular Weight:
172.2199
MDL Number:
MFCD18904713
IUPAC Name:
1-fluoro-3-methoxy-2-methylsulfanylbenzene
InChI:
InChI=1S/C8H9FOS/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3
InChI Key:
NLTVGNWZGZHEMC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1SC)F
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.217g/mol
Monoisotopic Mass:
172.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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