Home Boronic acids 1-BOC-4-bromoindole-3-boronic acid, pinacol ester

1-BOC-4-bromoindole-3-boronic acid, pinacol ester

CAS No.:
1256360-01-6
Catalog Number:
AG000O6S
Molecular Formula:
C19H25BBrNO4
Molecular Weight:
422.1211
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG000O6S
Chemical Name:
1-BOC-4-bromoindole-3-boronic acid, pinacol ester
CAS Number:
1256360-01-6
Molecular Formula:
C19H25BBrNO4
Molecular Weight:
422.1211
MDL Number:
MFCD16036142
IUPAC Name:
tert-butyl 4-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C19H25BBrNO4/c1-17(2,3)24-16(23)22-11-12(15-13(21)9-8-10-14(15)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3
InChI Key:
HJKPNFCBOKFSLC-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1c(cn2C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.106g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.126g/mol
Monoisotopic Mass:
421.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties