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Home > Boronic Acids > 874290-89-8
874290-89-8 | 3-Cyanopyridine-4-boronic acid
CAS No: 874290-89-8 Catalog No: AG0036B8 MDL No:MFCD09037480
Product Description
Catalog Number:
AG0036B8
Chemical Name:
3-Cyanopyridine-4-boronic acid
CAS Number:
874290-89-8
Molecular Formula:
C6H5BN2O2
Molecular Weight:
147.9271
MDL Number:
MFCD09037480
IUPAC Name:
(3-cyanopyridin-4-yl)boronic acid
InChI:
InChI=1S/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H
InChI Key:
BIFLCXDWWOPWRD-UHFFFAOYSA-N
SMILES:
N#Cc1cnccc1B(O)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:
148.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.928g/mol
Monoisotopic Mass:
148.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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