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1032528-06-5 | tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);cyclobutyl);carbamate
CAS No: 1032528-06-5 Catalog No: AG007HML MDL No:MFCD18762017
Product Description
Catalog Number:
AG007HML
Chemical Name:
tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);cyclobutyl);carbamate
CAS Number:
1032528-06-5
Molecular Formula:
C21H32BNO4
Molecular Weight:
373.2941
MDL Number:
MFCD18762017
IUPAC Name:
tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate
InChI:
InChI=1S/C21H32BNO4/c1-18(2,3)25-17(24)23-21(13-8-14-21)15-9-11-16(12-10-15)22-26-19(4,5)20(6,7)27-22/h9-12H,8,13-14H2,1-7H3,(H,23,24)
InChI Key:
AYUCJBOQVMWQJD-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.242g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.3g/mol
Monoisotopic Mass:
373.242g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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