200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1217500-59-8
1217500-59-8 | 1H-Indole-1-carboxylic acid, 2-borono-6-bromo-, 1-(1,1-dimethylethyl) ester
CAS No: 1217500-59-8 Catalog No: AG0015P9 MDL No:MFCD15143453
Product Description
Catalog Number:
AG0015P9
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-6-bromo-, 1-(1,1-dimethylethyl) ester
CAS Number:
1217500-59-8
Molecular Formula:
C13H15BBrNO4
Molecular Weight:
339.9775
MDL Number:
MFCD15143453
IUPAC Name:
[6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key:
RMYFCWUHNRAJJC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B(O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.98g/mol
Monoisotopic Mass:
339.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.