200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1217500-60-1
1217500-60-1 | 1H-Indole-1,5-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 5-methyl ester
CAS No: 1217500-60-1 Catalog No: AG0015RB MDL No:MFCD12756415
Product Description
Catalog Number:
AG0015RB
Chemical Name:
1H-Indole-1,5-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 5-methyl ester
CAS Number:
1217500-60-1
Molecular Formula:
C15H18BNO6
Molecular Weight:
319.1175
MDL Number:
MFCD12756415
IUPAC Name:
[5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C15H18BNO6/c1-15(2,3)23-14(19)17-11-6-5-9(13(18)22-4)7-10(11)8-12(17)16(20)21/h5-8,20-21H,1-4H3
InChI Key:
QNUYUUYYBLMZPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.123g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.12g/mol
Monoisotopic Mass:
319.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.