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Home > Boronic Acids > 848841-48-5
848841-48-5 | 1-CHLORO-4-ISOQUINOLINYL BORONIC ACID
CAS No: 848841-48-5 Catalog No: AG004M9F MDL No:MFCD09959721
Product Description
Catalog Number:
AG004M9F
Chemical Name:
1-CHLORO-4-ISOQUINOLINYL BORONIC ACID
CAS Number:
848841-48-5
Molecular Formula:
C9H7BClNO2
Molecular Weight:
207.4214
MDL Number:
MFCD09959721
IUPAC Name:
(1-chloroisoquinolin-4-yl)boronic acid
InChI:
InChI=1S/C9H7BClNO2/c11-9-7-4-2-1-3-6(7)8(5-12-9)10(13)14/h1-5,13-14H
InChI Key:
LIQWKDFYRGYBQH-UHFFFAOYSA-N
SMILES:
OB(c1cnc(c2c1cccc2)Cl)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.42g/mol
Monoisotopic Mass:
207.026g/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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