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126956-18-1 | Methyl 3,3,3-Trifluoro-2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)propanate
CAS No: 126956-18-1 Catalog No: AG01F2AM MDL No:
Product Description
Catalog Number:
AG01F2AM
Chemical Name:
Methyl 3,3,3-Trifluoro-2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)propanate
CAS Number:
126956-18-1
Molecular Formula:
C9H10F3NO3
Molecular Weight:
237.1758
IUPAC Name:
methyl 3,3,3-trifluoro-2-hydroxy-2-(1-methylpyrrol-2-yl)propanoate
InChI:
InChI=1S/C9H10F3NO3/c1-13-5-3-4-6(13)8(15,7(14)16-2)9(10,11)12/h3-5,15H,1-2H3
InChI Key:
NNVLHKKFKGTZSW-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)(c1cccn1C)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.178g/mol
Monoisotopic Mass:
237.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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