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330793-01-6 | tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);carbamate
CAS No: 330793-01-6 Catalog No: AG007HG2 MDL No:MFCD02179439
Product Description
Catalog Number:
AG007HG2
Chemical Name:
tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);carbamate
CAS Number:
330793-01-6
Molecular Formula:
C17H26BNO4
Molecular Weight:
319.2036
MDL Number:
MFCD02179439
IUPAC Name:
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI:
InChI=1S/C17H26BNO4/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/h8-11H,1-7H3,(H,19,20)
InChI Key:
HSJNIOYPTSKQBD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.195g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.208g/mol
Monoisotopic Mass:
319.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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