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tert-butyl N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamate

tert-butyl N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamate

CAS: 1379546-46-9

Formula: C13H18ClNO3

SMILES: CC(C)(C)OC(=O)N[C@H](CO)C1=CC(Cl)=CC=C1

IUPAC: tert-butyl N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamate

InChI: InChI=1S/C13H18ClNO3/c1-13(2,3)18-12(17)15-11(8-16)9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m1/s1

Composition: C (57.46%), H (6.68%), Cl (13.05%), N (5.15%), O (17.66%)

Molar Mass: 271.74

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 271.0975211
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey SWYMATJMMKRYJJ-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.17
Topological Polar Surface Area 58.56
Polarizability 27.63
Ring Count 1
Rotatable Bond Count 5

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