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Home > Boronic Acids > 1251732-64-5
1251732-64-5 | Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexen-1-yl]-, 1,1-dimethylethyl ester
CAS No: 1251732-64-5 Catalog No: AG000NAK MDL No:MFCD12032216
Product Description
Catalog Number:
AG000NAK
Chemical Name:
Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexen-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
1251732-64-5
Molecular Formula:
C17H30BNO4
Molecular Weight:
323.2354
MDL Number:
MFCD12032216
IUPAC Name:
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
InChI:
InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8,13H,9-11H2,1-7H3,(H,19,20)
InChI Key:
BQDDQHLYCAQNMX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCC(=CC1)B1OC(C(O1)(C)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:
1
Isotope Atom Count:
0
Molecular Weight:
323.24g/mol
Monoisotopic Mass:
323.227g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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