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115957-22-7 | 2-Thiophenepropanoic acid, β-[(2,2,2-trifluoroacetyl)amino]-
CAS No: 115957-22-7 Catalog No: AG000H7V MDL No:MFCD03001310
Product Description
Catalog Number:
AG000H7V
Chemical Name:
2-Thiophenepropanoic acid, β-[(2,2,2-trifluoroacetyl)amino]-
CAS Number:
115957-22-7
Molecular Formula:
C9H8F3NO3S
Molecular Weight:
267.2249
MDL Number:
MFCD03001310
IUPAC Name:
3-thiophen-2-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
InChI:
InChI=1S/C9H8F3NO3S/c10-9(11,12)8(16)13-5(4-7(14)15)6-2-1-3-17-6/h1-3,5H,4H2,(H,13,16)(H,14,15)
InChI Key:
LAPSEFLUNMVPQL-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccs1)NC(=O)C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.222g/mol
Monoisotopic Mass:
267.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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