Home Carboxys 3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid hydrochloride, Mixture of diastereomers

3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid hydrochloride, Mixture of diastereomers

CAS No.:
1786224-71-2
Catalog Number:
AG01BGMQ
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
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Product Description
Catalog Number:
AG01BGMQ
Chemical Name:
3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid hydrochloride, Mixture of diastereomers
CAS Number:
1786224-71-2
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
MDL Number:
MFCD28125186
IUPAC Name:
3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H12FNO2.ClH/c12-8-3-1-2-7(6-8)9-4-5-13-10(9)11(14)15;/h1-3,6,9-10,13H,4-5H2,(H,14,15);1H
InChI Key:
KVSJJSACMIZDOU-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCC1c1cccc(c1)F.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.678g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties