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Home > Fluorides > 1445948-46-8
1445948-46-8 | D-Proline, 4-fluoro-, methyl ester, hydrochloride (1:1), (4R)-
CAS No: 1445948-46-8 Catalog No: AG001JSK MDL No:MFCD25509426
Product Description
Catalog Number:
AG001JSK
Chemical Name:
D-Proline, 4-fluoro-, methyl ester, hydrochloride (1:1), (4R)-
CAS Number:
1445948-46-8
Molecular Formula:
C6H11ClFNO2
Molecular Weight:
183.6084
MDL Number:
MFCD25509426
IUPAC Name:
methyl (2R,4R)-4-fluoropyrrolidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C6H10FNO2.ClH/c1-10-6(9)5-2-4(7)3-8-5;/h4-5,8H,2-3H2,1H3;1H/t4-,5-;/m1./s1
InChI Key:
SJLXDUCYXKAYFC-TYSVMGFPSA-N
SMILES:
COC(=O)[C@H]1C[C@H](CN1)F.Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
183.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.607g/mol
Monoisotopic Mass:
183.046g/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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