Home Carboxys (2S,4R)-4-(2-(Trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid hydrochloride

(2S,4R)-4-(2-(Trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid hydrochloride

CAS No.:
1049743-22-7
Catalog Number:
AG0094XF
Molecular Formula:
C13H15ClF3NO2
Molecular Weight:
309.7119
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98% (TLC)
1 week
United States
$184
- +
250mg
≥ 98% (TLC)
1 week
United States
$301
- +
Product Description
Catalog Number:
AG0094XF
Chemical Name:
(2S,4R)-4-(2-(Trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid hydrochloride
CAS Number:
1049743-22-7
Molecular Formula:
C13H15ClF3NO2
Molecular Weight:
309.7119
MDL Number:
MFCD06659425
IUPAC Name:
(2S,4R)-4-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-4-2-1-3-9(10)5-8-6-11(12(18)19)17-7-8;/h1-4,8,11,17H,5-7H2,(H,18,19);1H/t8-,11+;/m1./s1
InChI Key:
FNSNHISKGFEKAG-NINOIYOQSA-N
SMILES:
OC(=O)[C@H]1NC[C@@H](C1)Cc1ccccc1C(F)(F)F.Cl
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.074g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
309.713g/mol
Monoisotopic Mass:
309.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties