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Home > Boronic Acids > 1219080-58-6
1219080-58-6 | Boronic acid, B-1-isoquinolinyl-
CAS No: 1219080-58-6 Catalog No: AG0016DJ MDL No:MFCD07780258
Product Description
Catalog Number:
AG0016DJ
Chemical Name:
Boronic acid, B-1-isoquinolinyl-
CAS Number:
1219080-58-6
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.9763
MDL Number:
MFCD07780258
IUPAC Name:
isoquinolin-1-ylboronic acid
InChI:
InChI=1S/C9H8BNO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6,12-13H
InChI Key:
RVUIQFODKHOTHQ-UHFFFAOYSA-N
SMILES:
OB(c1nccc2c1cccc2)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.978g/mol
Monoisotopic Mass:
173.065g/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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