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Home > Boronic Acids > 1047636-97-4
1047636-97-4 | 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-1,2,3-triazole
CAS No: 1047636-97-4 Catalog No: AG007XJL MDL No:MFCD16659791
Product Description
Catalog Number:
AG007XJL
Chemical Name:
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-1,2,3-triazole
CAS Number:
1047636-97-4
Molecular Formula:
C9H16BN3O2
Molecular Weight:
209.0532
MDL Number:
MFCD16659791
IUPAC Name:
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
InChI:
InChI=1S/C9H16BN3O2/c1-8(2)9(3,4)15-10(14-8)7-6-11-12-13(7)5/h6H,1-5H3
InChI Key:
BPWNCFRKHZLWOV-UHFFFAOYSA-N
SMILES:
Cn1nncc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.134g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.056g/mol
Monoisotopic Mass:
209.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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