Home Other Building Blocks 2-(3,3,3-TRIFLUOROPROPANESULFINYL)ACETIC ACID

2-(3,3,3-TRIFLUOROPROPANESULFINYL)ACETIC ACID

CAS No.:
1408206-32-5
Catalog Number:
AG01EK6O
Molecular Formula:
C5H7F3O3S
Molecular Weight:
204.1675
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Product Description
Catalog Number:
AG01EK6O
Chemical Name:
2-(3,3,3-TRIFLUOROPROPANESULFINYL)ACETIC ACID
CAS Number:
1408206-32-5
Molecular Formula:
C5H7F3O3S
Molecular Weight:
204.1675
MDL Number:
MFCD20084760
IUPAC Name:
2-(3,3,3-trifluoropropylsulfinyl)acetic acid
InChI:
InChI=1S/C5H7F3O3S/c6-5(7,8)1-2-12(11)3-4(9)10/h1-3H2,(H,9,10)
InChI Key:
ZGVBQHVTHRZRPN-UHFFFAOYSA-N
SMILES:
O=S(CC(=O)O)CCC(F)(F)F
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.007g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.163g/mol
Monoisotopic Mass:
204.007g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties