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Home > Boronic Acids > 1256345-46-6
1256345-46-6 | Boronic acid, B-5-isoquinolinyl-, hydrochloride (1:1)
CAS No: 1256345-46-6 Catalog No: AG000NZ5 MDL No:MFCD08235064
Product Description
Catalog Number:
AG000NZ5
Chemical Name:
Boronic acid, B-5-isoquinolinyl-, hydrochloride (1:1)
CAS Number:
1256345-46-6
Molecular Formula:
C9H9BClNO2
Molecular Weight:
209.4373
MDL Number:
MFCD08235064
IUPAC Name:
isoquinolin-5-ylboronic acid;hydrochloride
InChI:
InChI=1S/C9H8BNO2.ClH/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6,12-13H;1H
InChI Key:
BCHKZJGKVPKAJO-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1ccnc2)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
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