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Home > Fluorides > 1314901-59-1
1314901-59-1 | 3,4-Difluoro-5-methoxythiophenol
CAS No: 1314901-59-1 Catalog No: AG01FEMZ MDL No:
Product Description
Catalog Number:
AG01FEMZ
Chemical Name:
3,4-Difluoro-5-methoxythiophenol
CAS Number:
1314901-59-1
Molecular Formula:
C7H6F2OS
Molecular Weight:
176.1837
IUPAC Name:
3,4-difluoro-5-methoxybenzenethiol
InChI:
InChI=1S/C7H6F2OS/c1-10-6-3-4(11)2-5(8)7(6)9/h2-3,11H,1H3
InChI Key:
ZPJBEWBLDWNPTJ-UHFFFAOYSA-N
SMILES:
COc1cc(S)cc(c1F)F
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.181g/mol
Monoisotopic Mass:
176.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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