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Home > Fluorides > 126111-11-3
126111-11-3 | L-Proline, 4-fluoro-, methyl ester, (4R)-
CAS No: 126111-11-3 Catalog No: AG000RNF MDL No:MFCD06796153
Product Description
Catalog Number:
AG000RNF
Chemical Name:
L-Proline, 4-fluoro-, methyl ester, (4R)-
CAS Number:
126111-11-3
Molecular Formula:
C6H10FNO2
Molecular Weight:
147.1475
MDL Number:
MFCD06796153
IUPAC Name:
methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate
InChI:
InChI=1S/C6H10FNO2/c1-10-6(9)5-2-4(7)3-8-5/h4-5,8H,2-3H2,1H3/t4-,5+/m1/s1
InChI Key:
PGEIOIOBHIGEMT-UHNVWZDZSA-N
SMILES:
COC(=O)[C@@H]1C[C@H](CN1)F
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.149g/mol
Monoisotopic Mass:
147.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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