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Home > Boronic Acids > 874290-88-7
874290-88-7 | (2-Cyanopyridin-3-yl);boronic acid
CAS No: 874290-88-7 Catalog No: AG004FYR MDL No:MFCD08458475
Product Description
Catalog Number:
AG004FYR
Chemical Name:
(2-Cyanopyridin-3-yl);boronic acid
CAS Number:
874290-88-7
Molecular Formula:
C6H5BN2O2
Molecular Weight:
147.9271
MDL Number:
MFCD08458475
IUPAC Name:
(2-cyanopyridin-3-yl)boronic acid
InChI:
InChI=1S/C6H5BN2O2/c8-4-6-5(7(10)11)2-1-3-9-6/h1-3,10-11H
InChI Key:
CXEXJQAXEPPQHH-UHFFFAOYSA-N
SMILES:
N#Cc1ncccc1B(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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