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Home > Boronic Acids > 262433-02-3
262433-02-3 | Carbamic acid, N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 262433-02-3 Catalog No: AG002SF6 MDL No:MFCD08458201
Product Description
Catalog Number:
AG002SF6
Chemical Name:
Carbamic acid, N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
262433-02-3
Molecular Formula:
C18H28BNO5
Molecular Weight:
349.2296
MDL Number:
MFCD08458201
IUPAC Name:
tert-butyl N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI:
InChI=1S/C18H28BNO5/c1-16(2,3)23-15(21)20-13-10-9-12(11-14(13)22-8)19-24-17(4,5)18(6,7)25-19/h9-11H,1-8H3,(H,20,21)
InChI Key:
HTNAUNFQAMHASO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.206g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.234g/mol
Monoisotopic Mass:
349.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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