Home Aminos 2-amino-2-{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid

2-amino-2-{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid

CAS No.:
1104793-77-2
Catalog Number:
AG01BEID
Molecular Formula:
C9H8F3NO2S
Molecular Weight:
251.2255
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Product Description
Catalog Number:
AG01BEID
Chemical Name:
2-amino-2-{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid
CAS Number:
1104793-77-2
Molecular Formula:
C9H8F3NO2S
Molecular Weight:
251.2255
MDL Number:
MFCD09929452
IUPAC Name:
2-amino-2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid
InChI:
InChI=1S/C9H8F3NO2S/c10-9(11,12)16-6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
InChI Key:
YZMCWXXDCWXRPT-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)SC(F)(F)F)C(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.223g/mol
Monoisotopic Mass:
251.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties