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Home > Boronic Acids > 286961-15-7

286961-15-7

286961-15-7 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester

CAS No: 286961-15-7 Catalog No: AG002W4X MDL No:MFCD11521562

Product Description

Catalog Number:
AG002W4X
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester
CAS Number:
286961-15-7
Molecular Formula:
C19H26BNO4
Molecular Weight:
343.2250
MDL Number:
MFCD11521562
IUPAC Name:
benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-12-21(13-11-16)17(22)23-14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3
InChI Key:
QDSFHRPYZPQWEJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1

Properties

Complexity:
510  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.195g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.23g/mol
Monoisotopic Mass:
343.195g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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