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1505516-19-7 | 3-[2-(Boc-amino)ethoxy]phenylboronicAcidPinacolEster
CAS No: 1505516-19-7 Catalog No: AG00HXT4 MDL No:MFCD29055295
Product Description
Catalog Number:
AG00HXT4
Chemical Name:
3-[2-(Boc-amino)ethoxy]phenylboronicAcidPinacolEster
CAS Number:
1505516-19-7
Molecular Formula:
C19H30BNO5
Molecular Weight:
363.2562
MDL Number:
MFCD29055295
IUPAC Name:
tert-butyl N-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]carbamate
InChI:
InChI=1S/C19H30BNO5/c1-17(2,3)24-16(22)21-11-12-23-15-10-8-9-14(13-15)20-25-18(4,5)19(6,7)26-20/h8-10,13H,11-12H2,1-7H3,(H,21,22)
InChI Key:
GXCVCYPGZBKJQB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCOc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.222g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.261g/mol
Monoisotopic Mass:
363.222g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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