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methyl 4-fluoro-2-[(2R)-pyrrolidin-2-yl]benzoate hydrochloride

methyl 4-fluoro-2-[(2R)-pyrrolidin-2-yl]benzoate hydrochloride

CAS: 1391580-47-4

Formula: C12H15ClFNO2

SMILES: Cl.COC(=O)C1=CC=C(F)C=C1[C@H]1CCCN1

IUPAC: methyl 4-fluoro-2-[(2R)-pyrrolidin-2-yl]benzoate hydrochloride

InChI: InChI=1S/C12H14FNO2.ClH/c1-16-12(15)9-5-4-8(13)7-10(9)11-3-2-6-14-11;/h4-5,7,11,14H,2-3,6H2,1H3;1H/t11-;/m1./s1

Composition: C (55.50%), H (5.82%), Cl (13.65%), F (7.32%), N (5.39%), O (12.32%)

Molar Mass: 259.71

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 259.0775346
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QFYRJXJAORPWAY-RFVHGSKJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.76
Topological Polar Surface Area 38.33
Polarizability 22.59
Ring Count 2
Rotatable Bond Count 3

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