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Home > Fluorides > 1217861-80-7
1217861-80-7 | D-Proline, 2-[[4-(trifluoromethyl)phenyl]methyl]-, hydrochloride (1:1)
CAS No: 1217861-80-7 Catalog No: AG001611 MDL No:MFCD06796803
Product Description
Catalog Number:
AG001611
Chemical Name:
D-Proline, 2-[[4-(trifluoromethyl)phenyl]methyl]-, hydrochloride (1:1)
CAS Number:
1217861-80-7
Molecular Formula:
C13H15ClF3NO2
Molecular Weight:
309.7119
MDL Number:
MFCD06796803
IUPAC Name:
(2S)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-4-2-9(3-5-10)8-12(11(18)19)6-1-7-17-12;/h2-5,17H,1,6-8H2,(H,18,19);1H/t12-;/m0./s1
InChI Key:
AKTXKRXWSYGYJW-YDALLXLXSA-N
SMILES:
OC(=O)[C@]1(CCCN1)Cc1ccc(cc1)C(F)(F)F.Cl
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
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
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