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Home > Fluorides > 1001354-51-3
1001354-51-3 | L-Proline, 4-fluoro-, hydrochloride (1:1), (4S)-
CAS No: 1001354-51-3 Catalog No: AG00011Q MDL No:MFCD19105591
Product Description
Catalog Number:
AG00011Q
Chemical Name:
L-Proline, 4-fluoro-, hydrochloride (1:1), (4S)-
CAS Number:
1001354-51-3
Molecular Formula:
C5H9ClFNO2
Molecular Weight:
169.5819
MDL Number:
MFCD19105591
IUPAC Name:
(2S,4S)-4-fluoropyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H8FNO2.ClH/c6-3-1-4(5(8)9)7-2-3;/h3-4,7H,1-2H2,(H,8,9);1H/t3-,4-;/m0./s1
InChI Key:
UCWWFZQRLUCRFQ-MMALYQPHSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H](CN1)F.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.58g/mol
Monoisotopic Mass:
169.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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