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Home > Boronic Acids > 903513-61-1
903513-61-1 | 2,6-Dicyanopyridine-4-boronic acid
CAS No: 903513-61-1 Catalog No: AG00IG3Y MDL No:MFCD12964595
Product Description
Catalog Number:
AG00IG3Y
Chemical Name:
2,6-Dicyanopyridine-4-boronic acid
CAS Number:
903513-61-1
Molecular Formula:
C7H4BN3O2
Molecular Weight:
172.9366
MDL Number:
MFCD12964595
IUPAC Name:
(2,6-dicyanopyridin-4-yl)boronic acid
InChI:
InChI=1S/C7H4BN3O2/c9-3-6-1-5(8(12)13)2-7(4-10)11-6/h1-2,12-13H
InChI Key:
LJZLTWHPZZRADZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(n1)C#N)B(O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.938g/mol
Monoisotopic Mass:
173.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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