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1638290-04-6 | 1-methyl-4-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazole
CAS No: 1638290-04-6 Catalog No: AG01DSMA MDL No:
Product Description
Catalog Number:
AG01DSMA
Chemical Name:
1-methyl-4-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazole
CAS Number:
1638290-04-6
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
IUPAC Name:
1-methyl-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrazole
InChI:
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)7-6-10-8-14-15(5)9-10/h6-9H,1-5H3
InChI Key:
DPOXKVXLONNMAD-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C=CB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.154g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.106g/mol
Monoisotopic Mass:
234.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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