methyl 3-amino-3-(4-chlorophenyl)propanoate hydrochloride

methyl 3-amino-3-(4-chlorophenyl)propanoate hydrochloride

CAS: 124082-19-5

Formula: C10H13Cl2NO2

SMILES: Cl.COC(=O)CC(N)C1=CC=C(Cl)C=C1

IUPAC: methyl 3-amino-3-(4-chlorophenyl)propanoate hydrochloride

InChI: InChI=1/C10H12ClNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H

Composition: C (48.02%), H (5.24%), Cl (28.35%), N (5.60%), O (12.79%)

Molar Mass: 250.12

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	249.0323341
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CKHLTQXMMBPPQU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.56
Topological Polar Surface Area	52.32
Polarizability	21.86
Ring Count	1
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	124082-19-5		$51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07