Home Other Building Blocks 3-[(2,5-difluorophenyl)sulfanyl]prop-2-enoic acid

3-[(2,5-difluorophenyl)sulfanyl]prop-2-enoic acid

CAS No.:
1564084-66-7
Catalog Number:
AG01BHN0
Molecular Formula:
C9H6F2O2S
Molecular Weight:
216.2045
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Product Description
Catalog Number:
AG01BHN0
Chemical Name:
3-[(2,5-difluorophenyl)sulfanyl]prop-2-enoic acid
CAS Number:
1564084-66-7
Molecular Formula:
C9H6F2O2S
Molecular Weight:
216.2045
IUPAC Name:
3-(2,5-difluorophenyl)sulfanylprop-2-enoic acid
InChI:
InChI=1S/C9H6F2O2S/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13/h1-5H,(H,12,13)
InChI Key:
SAJFEKOPHHZMGB-UHFFFAOYSA-N
SMILES:
OC(=O)C=CSc1cc(F)ccc1F
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.202g/mol
Monoisotopic Mass:
216.006g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.3  
Properties