tert-butyl N-[(2S)-2-amino-2-(4-bromophenyl)ethyl]carbamate

tert-butyl N-[(2S)-2-amino-2-(4-bromophenyl)ethyl]carbamate

CAS: 1270099-82-5

Formula: C13H19BrN2O2

SMILES: CC(C)(C)OC(=O)NC[C@@H](N)C1=CC=C(Br)C=C1

IUPAC: tert-butyl N-[(2S)-2-amino-2-(4-bromophenyl)ethyl]carbamate

InChI: InChI=1S/C13H19BrN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m1/s1

Composition: C (49.54%), H (6.08%), Br (25.35%), N (8.89%), O (10.15%)

Molar Mass: 315.211

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	314.062991
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	LYLZSAYFVQJEJK-LLVKDONJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.65
Topological Polar Surface Area	64.35
Polarizability	29.42
Ring Count	1
Rotatable Bond Count	5

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