Home Other Building Blocks 2-[(difluoromethyl)sulfanyl]phenol

2-[(difluoromethyl)sulfanyl]phenol

CAS No.:
1251084-72-6
Catalog Number:
AG01AL7S
Molecular Formula:
C7H6F2OS
Molecular Weight:
176.1837
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Product Description
Catalog Number:
AG01AL7S
Chemical Name:
2-[(difluoromethyl)sulfanyl]phenol
CAS Number:
1251084-72-6
Molecular Formula:
C7H6F2OS
Molecular Weight:
176.1837
MDL Number:
MFCD16159887
IUPAC Name:
2-(difluoromethylsulfanyl)phenol
InChI:
InChI=1S/C7H6F2OS/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7,10H
InChI Key:
HSVFGFUYGCSEFY-UHFFFAOYSA-N
SMILES:
FC(Sc1ccccc1O)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:
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:
2  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties