Home Halogens tert-butyl N-[(2R)-4-chloro-3-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-4-chloro-3-oxobutan-2-yl]carbamate

CAS No.:
1522241-50-4
Catalog Number:
AG01DVJ3
Molecular Formula:
C9H16ClNO3
Molecular Weight:
221.6812
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Product Description
Catalog Number:
AG01DVJ3
Chemical Name:
tert-butyl N-[(2R)-4-chloro-3-oxobutan-2-yl]carbamate
CAS Number:
1522241-50-4
Molecular Formula:
C9H16ClNO3
Molecular Weight:
221.6812
IUPAC Name:
tert-butyl N-(4-chloro-3-oxobutan-2-yl)carbamate
InChI:
InChI=1S/C9H16ClNO3/c1-6(7(12)5-10)11-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,11,13)
InChI Key:
SUMIWORFUZTLFW-UHFFFAOYSA-N
SMILES:
ClCC(=O)[C@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.681g/mol
Monoisotopic Mass:
221.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties