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

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

CAS No.:
1409839-17-3
Catalog Number:
AG01EMUC
Molecular Formula:
C5H7F3O4S
Molecular Weight:
220.1669
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Product Description
Catalog Number:
AG01EMUC
Chemical Name:
2-(3,3,3-TRIFLUOROPROPANESULFONYL)ACETIC ACID
CAS Number:
1409839-17-3
Molecular Formula:
C5H7F3O4S
Molecular Weight:
220.1669
MDL Number:
MFCD20361998
IUPAC Name:
2-(3,3,3-trifluoropropylsulfonyl)acetic acid
InChI:
InChI=1S/C5H7F3O4S/c6-5(7,8)1-2-13(11,12)3-4(9)10/h1-3H2,(H,9,10)
InChI Key:
YCUDMGCIPAJPAG-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)CCC(F)(F)F
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.002g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.162g/mol
Monoisotopic Mass:
220.002g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties