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Home > Boronic Acids > 1451390-84-3
1451390-84-3 | 1-Azetidinecarboxylic acid, 3-[3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1451390-84-3 Catalog No: AG001KM3 MDL No:
Product Description
Catalog Number:
AG001KM3
Chemical Name:
1-Azetidinecarboxylic acid, 3-[3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1451390-84-3
Molecular Formula:
C21H29BN2O4
Molecular Weight:
384.2770
IUPAC Name:
tert-butyl 3-[3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]azetidine-1-carboxylate
InChI:
InChI=1S/C21H29BN2O4/c1-19(2,3)26-18(25)24-12-16(13-24)15-8-14(11-23)9-17(10-15)22-27-20(4,5)21(6,7)28-22/h8-10,16H,12-13H2,1-7H3
InChI Key:
IQJFEZNINVIPTH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)C1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.222g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.283g/mol
Monoisotopic Mass:
384.222g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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