Home Halogens 1-(4-BOC-Piperazinomethyl)-2-bromo-4-fluorobenzene

1-(4-BOC-Piperazinomethyl)-2-bromo-4-fluorobenzene

CAS No.:
460094-96-6
Catalog Number:
AG006YC5
Molecular Formula:
C16H22BrFN2O2
Molecular Weight:
373.2605
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
10g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG006YC5
Chemical Name:
1-(4-BOC-Piperazinomethyl)-2-bromo-4-fluorobenzene
CAS Number:
460094-96-6
Molecular Formula:
C16H22BrFN2O2
Molecular Weight:
373.2605
MDL Number:
MFCD20441935
IUPAC Name:
tert-butyl 4-[(2-bromo-4-fluorophenyl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H22BrFN2O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)11-12-4-5-13(18)10-14(12)17/h4-5,10H,6-9,11H2,1-3H3
InChI Key:
FMBAGTCXKXRCMU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Br)CN1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.085g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.266g/mol
Monoisotopic Mass:
372.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties