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Home > Boronic Acids > 1223598-41-1
1223598-41-1 | 2-(AzidoMethyl)benzeneboronic acid pinacol ester, 95%
CAS No: 1223598-41-1 Catalog No: AG009IID MDL No:MFCD22124732
Product Description
Catalog Number:
AG009IID
Chemical Name:
2-(AzidoMethyl)benzeneboronic acid pinacol ester, 95%
CAS Number:
1223598-41-1
Molecular Formula:
C13H18BN3O2
Molecular Weight:
259.1119
MDL Number:
MFCD22124732
IUPAC Name:
2-[2-(azidomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)11-8-6-5-7-10(11)9-16-17-15/h5-8H,9H2,1-4H3
InChI Key:
DWSJHXRRSHEEOE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCc1ccccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.149g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.116g/mol
Monoisotopic Mass:
259.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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