200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1236031-63-2
1236031-63-2 | Boronic acid, B-6-isoquinolinyl-, hydrochloride (1:1)
CAS No: 1236031-63-2 Catalog No: AG000KTT MDL No:MFCD10697418
Product Description
Catalog Number:
AG000KTT
Chemical Name:
Boronic acid, B-6-isoquinolinyl-, hydrochloride (1:1)
CAS Number:
1236031-63-2
Molecular Formula:
C9H9BClNO2
Molecular Weight:
209.4373
MDL Number:
MFCD10697418
IUPAC Name:
isoquinolin-6-ylboronic acid;hydrochloride
InChI:
InChI=1S/C9H8BNO2.ClH/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9;/h1-6,12-13H;1H
InChI Key:
MKNBRFWRIQVMGU-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)ccnc2)O.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.436g/mol
Monoisotopic Mass:
209.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.