Home Carboxys methyl trans-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride

methyl trans-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride

CAS No.:
1212115-75-7
Catalog Number:
AG00IKMI
Molecular Formula:
C7H11ClF3NO2
Molecular Weight:
233.6159
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Product Description
Catalog Number:
AG00IKMI
Chemical Name:
methyl trans-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride
CAS Number:
1212115-75-7
Molecular Formula:
C7H11ClF3NO2
Molecular Weight:
233.6159
MDL Number:
MFCD09910398
IUPAC Name:
methyl 4-(trifluoromethyl)pyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C7H10F3NO2.ClH/c1-13-6(12)4-2-11-3-5(4)7(8,9)10;/h4-5,11H,2-3H2,1H3;1H
InChI Key:
RQQYZTONTAQRGS-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H]1CNC[C@@H]1C(F)(F)F.Cl
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.615g/mol
Monoisotopic Mass:
233.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties