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Home > Boronic Acids > 1268816-65-4
1268816-65-4 | 1H-Azepine-1-carboxylic acid, 2,3,6,7-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1268816-65-4 Catalog No: AG000TF6 MDL No:MFCD19689424
Product Description
Catalog Number:
AG000TF6
Chemical Name:
1H-Azepine-1-carboxylic acid, 2,3,6,7-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1268816-65-4
Molecular Formula:
C17H30BNO4
Molecular Weight:
323.2354
MDL Number:
MFCD19689424
IUPAC Name:
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydroazepine-1-carboxylate
InChI:
InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-11-8-9-13(10-12-19)18-22-16(4,5)17(6,7)23-18/h9H,8,10-12H2,1-7H3
InChI Key:
FUEVBSUAXZQOGV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC=C(CC1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.227g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.24g/mol
Monoisotopic Mass:
323.227g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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