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1263281-88-4 | 3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]-, (3R,4S)-rel-
CAS No: 1263281-88-4 Catalog No: AG000SLV MDL No:MFCD17011753
Product Description
Catalog Number:
AG000SLV
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]-, (3R,4S)-rel-
CAS Number:
1263281-88-4
Molecular Formula:
C19H18F3NO2
Molecular Weight:
349.3469
MDL Number:
MFCD17011753
IUPAC Name:
(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C19H18F3NO2/c20-19(21,22)15-8-6-14(7-9-15)16-11-23(12-17(16)18(24)25)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2,(H,24,25)/t16-,17+/m0/s1
InChI Key:
OTRULTXHXWDKOS-DLBZAZTESA-N
SMILES:
OC(=O)[C@H]1CN(C[C@@H]1c1ccc(cc1)C(F)(F)F)Cc1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
349.129g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.353g/mol
Monoisotopic Mass:
349.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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