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1236862-40-0 | methyl (3R,4S)-4-(4-fluorophenyl)pyrrolidine-3-carboxylate hydrochloride
CAS No: 1236862-40-0 Catalog No: AG003AUK MDL No:
Product Description
Catalog Number:
AG003AUK
Chemical Name:
methyl (3R,4S)-4-(4-fluorophenyl)pyrrolidine-3-carboxylate hydrochloride
CAS Number:
1236862-40-0
Molecular Formula:
C12H15ClFNO2
Molecular Weight:
259.7044
IUPAC Name:
methyl (3R,4S)-4-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C12H14FNO2.ClH/c1-16-12(15)11-7-14-6-10(11)8-2-4-9(13)5-3-8;/h2-5,10-11,14H,6-7H2,1H3;1H/t10-,11+;/m1./s1
InChI Key:
NZPNZFQTGORIKF-DHXVBOOMSA-N
SMILES:
COC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)F.Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.705g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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