Home Carboxys 3-Pyrrolidinecarboxylic acid, 3-(trifluoromethyl)-, hydrochloride (1:1)

3-Pyrrolidinecarboxylic acid, 3-(trifluoromethyl)-, hydrochloride (1:1)

CAS No.:
1235439-68-5
Catalog Number:
AG000KR4
Molecular Formula:
C6H9ClF3NO2
Molecular Weight:
219.5894
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Product Description
Catalog Number:
AG000KR4
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1235439-68-5
Molecular Formula:
C6H9ClF3NO2
Molecular Weight:
219.5894
MDL Number:
MFCD11848046
IUPAC Name:
3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H8F3NO2.ClH/c7-6(8,9)5(4(11)12)1-2-10-3-5;/h10H,1-3H2,(H,11,12);1H
InChI Key:
VVFTWUPZMBRHLD-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CNCC1)C(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:
219.027g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.588g/mol
Monoisotopic Mass:
219.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties