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402718-29-0 | 3-CYANOPYRIDINE-5-BORONIC ACID PINACOL ESTER
CAS No: 402718-29-0 Catalog No: AG00BZD1 MDL No:MFCD07780755
Product Description
Catalog Number:
AG00BZD1
Chemical Name:
3-CYANOPYRIDINE-5-BORONIC ACID PINACOL ESTER
CAS Number:
402718-29-0
Molecular Formula:
C12H15BN2O2
Molecular Weight:
230.0707
MDL Number:
MFCD07780755
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-5-9(6-14)7-15-8-10/h5,7-8H,1-4H3
InChI Key:
BOIKCRIMIQAFQJ-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)B1OC(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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