Home Carboxys rac-(3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride, trans

rac-(3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride, trans

CAS No.:
1909288-72-7
Catalog Number:
AG01C6ID
Molecular Formula:
C6H9ClF3NO2
Molecular Weight:
219.5894
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Product Description
Catalog Number:
AG01C6ID
Chemical Name:
rac-(3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride, trans
CAS Number:
1909288-72-7
Molecular Formula:
C6H9ClF3NO2
Molecular Weight:
219.5894
MDL Number:
MFCD29912978
IUPAC Name:
(3S,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H8F3NO2.ClH/c7-6(8,9)4-2-10-1-3(4)5(11)12;/h3-4,10H,1-2H2,(H,11,12);1H/t3-,4+;/m1./s1
InChI Key:
WRWPZFUIFXLHEJ-HJXLNUONSA-N
SMILES:
OC(=O)[C@@H]1CNC[C@H]1C(F)(F)F.Cl
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
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:
0
Undefined Bond Stereocenter Count:
0
Properties