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Home Boronic acids 3-Bromo-5-(4-BOC-piperazino)phenylboronic acid

3-Bromo-5-(4-BOC-piperazino)phenylboronic acid

CAS No.:
2088237-61-8
Catalog Number:
AG01EHOL
Molecular Formula:
C15H22BBrN2O4
Molecular Weight:
385.0612
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
25g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG01EHOL
Chemical Name:
3-Bromo-5-(4-BOC-piperazino)phenylboronic acid
CAS Number:
2088237-61-8
Molecular Formula:
C15H22BBrN2O4
Molecular Weight:
385.0612
MDL Number:
MFCD18434431
IUPAC Name:
[3-bromo-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid
InChI:
InChI=1S/C15H22BBrN2O4/c1-15(2,3)23-14(20)19-6-4-18(5-7-19)13-9-11(16(21)22)8-12(17)10-13/h8-10,21-22H,4-7H2,1-3H3
InChI Key:
VCAMDOSUSYAJLG-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)B(O)O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.086g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
385.065g/mol
Monoisotopic Mass:
384.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties