Home Other Building Blocks (4-Iodo-benzyl)-carbamic acid tert-butyl ester

(4-Iodo-benzyl)-carbamic acid tert-butyl ester

CAS No.:
189132-01-2
Catalog Number:
AG002HXI
Molecular Formula:
C12H16INO2
Molecular Weight:
333.1654
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$150
- +
1g
96%
In Stock USA
United States
$363
- +
5g
96%
In Stock USA
United States
$1088
- +
Product Description
Catalog Number:
AG002HXI
Chemical Name:
(4-Iodo-benzyl)-carbamic acid tert-butyl ester
CAS Number:
189132-01-2
Molecular Formula:
C12H16INO2
Molecular Weight:
333.1654
MDL Number:
MFCD19195499
IUPAC Name:
tert-butyl N-[(4-iodophenyl)methyl]carbamate
InChI:
InChI=1S/C12H16INO2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChI Key:
XXLBBLSVNGDBGH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cc1)I
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.169g/mol
Monoisotopic Mass:
333.023g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties