Text Search
Structure Search

methyl (2S,4S)-4-(2-chloro-5-fluorophenoxy)pyrrolidine-2-carboxylate hydrochloride

methyl (2S,4S)-4-(2-chloro-5-fluorophenoxy)pyrrolidine-2-carboxylate hydrochloride

CAS: 1354487-97-0

Formula: C12H14Cl2FNO3

SMILES: Cl.COC(=O)[C@@H]1C[C@@H](CN1)OC1=C(Cl)C=CC(F)=C1

IUPAC: methyl (2S,4S)-4-(2-chloro-5-fluorophenoxy)pyrrolidine-2-carboxylate hydrochloride

InChI: InChI=1S/C12H13ClFNO3.ClH/c1-17-12(16)10-5-8(6-15-10)18-11-4-7(14)2-3-9(11)13;/h2-4,8,10,15H,5-6H2,1H3;1H/t8-,10-;/m0./s1

Composition: C (46.47%), H (4.55%), Cl (22.86%), F (6.13%), N (4.52%), O (15.48%)

Molar Mass: 310.15

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 309.0334769
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UZTHLXIKJWDZIX-GNAZCLTHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.43
Topological Polar Surface Area 47.56
Polarizability 25.29
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1354487-97-0 $219.25$219.25
Request Quote