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1330750-50-9 | 3-Pyrrolidinecarboxylic acid, 4-(4-fluorophenyl)-, hydrochloride (1:1), (3R,4S)-rel-
CAS No: 1330750-50-9 Catalog No: AG00147I MDL No:MFCD06659259
Product Description
Catalog Number:
AG00147I
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(4-fluorophenyl)-, hydrochloride (1:1), (3R,4S)-rel-
CAS Number:
1330750-50-9
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
MDL Number:
MFCD06659259
IUPAC Name:
(3R,4S)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H12FNO2.ClH/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15;/h1-4,9-10,13H,5-6H2,(H,14,15);1H/t9-,10+;/m1./s1
InChI Key:
ABOVCUXVEBGHCL-UXQCFNEQSA-N
SMILES:
OC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)F.Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
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