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Home > Fluorides > 1208076-59-8
1208076-59-8 | 2,5-Difluoro-4-methoxythiophenol
CAS No: 1208076-59-8 Catalog No: AG01FELE MDL No:MFCD12026234
Product Description
Catalog Number:
AG01FELE
Chemical Name:
2,5-Difluoro-4-methoxythiophenol
CAS Number:
1208076-59-8
Molecular Formula:
C7H6F2OS
Molecular Weight:
176.1837
MDL Number:
MFCD12026234
IUPAC Name:
2,5-difluoro-4-methoxybenzenethiol
InChI:
InChI=1S/C7H6F2OS/c1-10-6-2-5(9)7(11)3-4(6)8/h2-3,11H,1H3
InChI Key:
NUWWSMJPZKAPSD-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1F)S
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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