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Home > Boronic Acids > 1351502-30-1
1351502-30-1 | 3-Cyano-4-pyrrolidinophenylboronic acid pinacol ester
CAS No: 1351502-30-1 Catalog No: AG00HTWU MDL No:MFCD28148076
Product Description
Catalog Number:
AG00HTWU
Chemical Name:
3-Cyano-4-pyrrolidinophenylboronic acid pinacol ester
CAS Number:
1351502-30-1
Molecular Formula:
C17H23BN2O2
Molecular Weight:
298.1877
MDL Number:
MFCD28148076
IUPAC Name:
2-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C17H23BN2O2/c1-16(2)17(3,4)22-18(21-16)14-7-8-15(13(11-14)12-19)20-9-5-6-10-20/h7-8,11H,5-6,9-10H2,1-4H3
InChI Key:
OAXFMFKXVZVUGF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.193g/mol
Monoisotopic Mass:
298.185g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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