methyl 2-[(tert-butoxycarbonyl)amino]-2-(4-chlorophenyl)acetate

methyl 2-[(tert-butoxycarbonyl)amino]-2-(4-chlorophenyl)acetate

CAS: 1273585-66-2

Formula: C14H18ClNO4

SMILES: COC(=O)C(NC(=O)OC(C)(C)C)C1=CC=C(Cl)C=C1

IUPAC: methyl 2-{[(tert-butoxy)carbonyl]amino}-2-(4-chlorophenyl)acetate

InChI: InChI=1/C14H18ClNO4/c1-14(2,3)20-13(18)16-11(12(17)19-4)9-5-7-10(15)8-6-9/h5-8,11H,1-4H3,(H,16,18)

Composition: C (56.10%), H (6.05%), Cl (11.83%), N (4.67%), O (21.35%)

Molar Mass: 299.75

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	299.0924358
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HCZXBVJRVCEWCG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.81
Topological Polar Surface Area	64.63
Polarizability	29.65
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1273585-66-2		$59.00-$242.19$59.00$104.54$155.25$242.19