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Home > Boronic Acids > 878194-91-3
878194-91-3 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);isonicotinonitrile
CAS No: 878194-91-3 Catalog No: AG003L9M MDL No:MFCD08458478
Product Description
Catalog Number:
AG003L9M
Chemical Name:
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);isonicotinonitrile
CAS Number:
878194-91-3
Molecular Formula:
C12H15BN2O2
Molecular Weight:
230.0707
MDL Number:
MFCD08458478
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile
InChI:
InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-8-15-6-5-9(10)7-14/h5-6,8H,1-4H3
InChI Key:
DQQFRFWEPQBNEN-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.074g/mol
Monoisotopic Mass:
230.123g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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