200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1000068-24-5
1000068-24-5 | 1H-Indole-1-carboxylic acid, 2-borono-7-chloro-, 1-(1,1-dimethylethyl) ester
CAS No: 1000068-24-5 Catalog No: AG00009H MDL No:MFCD11616285
Product Description
Catalog Number:
AG00009H
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-7-chloro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1000068-24-5
Molecular Formula:
C13H15BClNO4
Molecular Weight:
295.5265
MDL Number:
MFCD11616285
IUPAC Name:
[7-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H15BClNO4/c1-13(2,3)20-12(17)16-10(14(18)19)7-8-5-4-6-9(15)11(8)16/h4-7,18-19H,1-3H3
InChI Key:
NXWDAFDCKRNQKL-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)c(Cl)ccc2)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:
295.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.526g/mol
Monoisotopic Mass:
295.078g/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.