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Home > Boronic Acids > 881913-23-1
881913-23-1 | 3-(isoquinolin-1-yl)phenylboronic acid
CAS No: 881913-23-1 Catalog No: AG00H420 MDL No:
Product Description
Catalog Number:
AG00H420
Chemical Name:
3-(isoquinolin-1-yl)phenylboronic acid
CAS Number:
881913-23-1
IUPAC Name:
(3-isoquinolin-1-ylphenyl)boronic acid
InChI:
InChI=1S/C15H12BNO2/c18-16(19)13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-17-15/h1-10,18-19H
InChI Key:
SDOQOIIRTBPTCG-UHFFFAOYSA-N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.076g/mol
Monoisotopic Mass:
249.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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