tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate

tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate

CAS: 102123-74-0

Formula: C15H20ClNO3

SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCl

IUPAC: tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate

InChI: InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1

Composition: C (60.50%), H (6.77%), Cl (11.90%), N (4.70%), O (16.12%)

Molar Mass: 297.78

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	297.1131712
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JAKDNFBATYIEIE-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.29
Topological Polar Surface Area	55.4
Polarizability	30.72
Ring Count	1
Rotatable Bond Count	7

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