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Home > Boronic Acids > 508223-54-9
508223-54-9 | tert-Butyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
CAS No: 508223-54-9 Catalog No: AG00DADL MDL No:MFCD17214290
Product Description
Catalog Number:
AG00DADL
Chemical Name:
tert-Butyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
CAS Number:
508223-54-9
Molecular Formula:
C18H28BNO4
Molecular Weight:
333.2302
MDL Number:
MFCD17214290
IUPAC Name:
tert-butyl N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI:
InChI=1S/C18H28BNO4/c1-12-11-13(19-23-17(5,6)18(7,8)24-19)9-10-14(12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21)
InChI Key:
AEJFCKJZWOLDBF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.211g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.235g/mol
Monoisotopic Mass:
333.211g/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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