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Home > Boronic Acids > 1314138-13-0
1314138-13-0 | 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole
CAS No: 1314138-13-0 Catalog No: AG00HSGJ MDL No:MFCD22381490
Product Description
Catalog Number:
AG00HSGJ
Chemical Name:
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole
CAS Number:
1314138-13-0
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
MDL Number:
MFCD22381490
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
InChI:
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-8-14-15-7-5-6-10(9)15/h8H,5-7H2,1-4H3
InChI Key:
LJCFTIMGDJYWHD-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn2c1CCC2
Properties
Complexity:
306
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:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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