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156046-05-8 | L-Proline, 4,4-difluoro-, methyl ester, hydrochloride (1:1)
CAS No: 156046-05-8 Catalog No: AG001OH0 MDL No:MFCD23106100
Product Description
Catalog Number:
AG001OH0
Chemical Name:
L-Proline, 4,4-difluoro-, methyl ester, hydrochloride (1:1)
CAS Number:
156046-05-8
Molecular Formula:
C6H10ClF2NO2
Molecular Weight:
201.5989
MDL Number:
MFCD23106100
IUPAC Name:
methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C6H9F2NO2.ClH/c1-11-5(10)4-2-6(7,8)3-9-4;/h4,9H,2-3H2,1H3;1H/t4-;/m0./s1
InChI Key:
XGOHSFOAFOLNFY-WCCKRBBISA-N
SMILES:
COC(=O)[C@H]1NCC(C1)(F)F.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.598g/mol
Monoisotopic Mass:
201.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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