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1260903-25-0 | 3-Pyrrolidinecarboxylic acid, 4-methyl-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1)
CAS No: 1260903-25-0 Catalog No: AG000RLZ MDL No:
Product Description
Catalog Number:
AG000RLZ
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-methyl-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
1260903-25-0
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
IUPAC Name:
methyl 4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H12F3NO2.ClH/c1-7(8(9,10)11)4-12-3-5(7)6(13)14-2;/h5,12H,3-4H2,1-2H3;1H
InChI Key:
CDHBEAAIMJUFIW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCC1(C)C(F)(F)F.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.642g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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