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Home > Boronic Acids > 775351-40-1
775351-40-1 | 5-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2H-tetrazole
CAS No: 775351-40-1 Catalog No: AG0058ZV MDL No:MFCD17214381
Product Description
Catalog Number:
AG0058ZV
Chemical Name:
5-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2H-tetrazole
CAS Number:
775351-40-1
Molecular Formula:
C13H17BN4O2
Molecular Weight:
272.1107
MDL Number:
MFCD17214381
IUPAC Name:
5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-tetrazole
InChI:
InChI=1S/C13H17BN4O2/c1-12(2)13(3,4)20-14(19-12)10-7-5-9(6-8-10)11-15-17-18-16-11/h5-8H,1-4H3,(H,15,16,17,18)
InChI Key:
ONAVJWUKLJDJAI-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1n[nH]nn1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.144g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.115g/mol
Monoisotopic Mass:
272.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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