methyl (2S,4S)-4-(2,3-dichlorophenoxy)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(2,3-dichlorophenoxy)pyrrolidine-2-carboxylate

CAS: 1217676-26-0

Formula: C12H13Cl2NO3

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

IUPAC: methyl (2S,4S)-4-(2,3-dichlorophenoxy)pyrrolidine-2-carboxylate

InChI: InChI=1S/C12H13Cl2NO3/c1-17-12(16)9-5-7(6-15-9)18-10-4-2-3-8(13)11(10)14/h2-4,7,9,15H,5-6H2,1H3/t7-,9-/m0/s1

Composition: C (49.68%), H (4.52%), Cl (24.44%), N (4.83%), O (16.54%)

Molar Mass: 290.14

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	289.0272487
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QYJPUWKGQGKUHR-CBAPKCEASA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.02
Topological Polar Surface Area	47.56
Polarizability	27.5
Ring Count	2
Rotatable Bond Count	4

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