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

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

CAS No.:
1049022-58-3
Catalog Number:
AG00HAG6
Molecular Formula:
C16H21IN2O3
Molecular Weight:
416.2540
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$275
- +
5g
98%
In Stock USA
United States
$750
- +
10g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00HAG6
Chemical Name:
tert-Butyl 4-[(4-iodophenyl)carbonyl]piperazine-1-carboxylate
CAS Number:
1049022-58-3
Molecular Formula:
C16H21IN2O3
Molecular Weight:
416.2540
MDL Number:
MFCD14635743
IUPAC Name:
tert-butyl 4-(4-iodobenzoyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21IN2O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3
InChI Key:
OSMPKQSUSRZULQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)I)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
406  
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