Home Carboxys rac-(3R,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride, trans

rac-(3R,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride, trans

CAS No.:
1807891-05-9
Catalog Number:
AG01C6IF
Molecular Formula:
C13H15ClF3NO2
Molecular Weight:
309.7119
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Product Description
Catalog Number:
AG01C6IF
Chemical Name:
rac-(3R,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride, trans
CAS Number:
1807891-05-9
Molecular Formula:
C13H15ClF3NO2
Molecular Weight:
309.7119
MDL Number:
MFCD29762911
IUPAC Name:
(3S,4S)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)11-8-17(7-10(11)12(18)19)6-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2,(H,18,19);1H/t10-,11-;/m1./s1
InChI Key:
AQYAZKFEVHEOML-NDXYWBNTSA-N
SMILES:
OC(=O)[C@@H]1CN(C[C@H]1C(F)(F)F)Cc1ccccc1.Cl
Properties
Complexity:
326  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
309.713g/mol
Monoisotopic Mass:
309.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties