4-[(2S)-2-[4-(4-chlorophenoxy)phenoxymethyl]pyrrolidin-1-yl]butanoic acid hydrochloride

4-[(2S)-2-[4-(4-chlorophenoxy)phenoxymethyl]pyrrolidin-1-yl]butanoic acid hydrochloride

CAS: 929915-58-2

Formula: C21H25Cl2NO4

SMILES: Cl[H].OC(=O)CCCN1CCC[C@H]1COC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1

IUPAC: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoic acid hydrochloride

InChI: InChI=1S/C21H24ClNO4.ClH/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25;/h5-12,17H,1-4,13-15H2,(H,24,25);1H/t17-;/m0./s1

Composition: C (59.16%), H (5.91%), Cl (16.63%), N (3.29%), O (15.01%)

Molar Mass: 426.33

Atom Count: 53

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	425.1160637
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UCPVOTSNNAVKNE-LMOVPXPDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.34
Topological Polar Surface Area	59
Polarizability	41.08
Ring Count	3
Rotatable Bond Count	9

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Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	929915-58-2		$359.27-$3,274.69$359.27$538.90$970.02$1,455.42$2,183.13$3,274.69