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Home > Boronic Acids > 1219080-59-7
1219080-59-7 | Boronic acid, B-3-isoquinolinyl-
CAS No: 1219080-59-7 Catalog No: AG0016DI MDL No:MFCD12401046
Product Description
Catalog Number:
AG0016DI
Chemical Name:
Boronic acid, B-3-isoquinolinyl-
CAS Number:
1219080-59-7
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.9763
MDL Number:
MFCD12401046
IUPAC Name:
isoquinolin-3-ylboronic acid
InChI:
InChI=1S/C9H8BNO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6,12-13H
InChI Key:
WIZRIWMHMMZTRK-UHFFFAOYSA-N
SMILES:
OB(c1ncc2c(c1)cccc2)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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