Home Carboxys tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate

tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate

CAS No.:
838845-52-6
Catalog Number:
AG00IDC0
Molecular Formula:
C16H21IN2O3
Molecular Weight:
416.2540
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00IDC0
Chemical Name:
tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate
CAS Number:
838845-52-6
Molecular Formula:
C16H21IN2O3
Molecular Weight:
416.2540
MDL Number:
MFCD14635742
IUPAC Name:
tert-butyl 4-(3-iodobenzoyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21IN2O3/c1-16(2,3)22-15(21)19-9-7-18(8-10-19)14(20)12-5-4-6-13(17)11-12/h4-6,11H,7-10H2,1-3H3
InChI Key:
DYWUNSKOZOZBCR-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.06g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.259g/mol
Monoisotopic Mass:
416.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties