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Home > Boronic Acids > 1620751-71-4
1620751-71-4 | Boronic acid, B-(5-nitro-8-isoquinolinyl)-
CAS No: 1620751-71-4 Catalog No: AG001SP7 MDL No:
Product Description
Catalog Number:
AG001SP7
Chemical Name:
Boronic acid, B-(5-nitro-8-isoquinolinyl)-
CAS Number:
1620751-71-4
Molecular Formula:
C9H7BN2O4
Molecular Weight:
217.9739
IUPAC Name:
(5-nitroisoquinolin-8-yl)boronic acid
InChI:
InChI=1S/C9H7BN2O4/c13-10(14)8-1-2-9(12(15)16)6-3-4-11-5-7(6)8/h1-5,13-14H
InChI Key:
NVMTZJIJLKREMI-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c2c1cncc2)[N+](=O)[O-])O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.975g/mol
Monoisotopic Mass:
218.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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