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Home > Boronic Acids > 1000802-52-7
1000802-52-7 | 1H-Pyrazole, 1-[2-(1-pyrrolidinyl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1000802-52-7 Catalog No: AG0000V9 MDL No:MFCD16659795
Product Description
Catalog Number:
AG0000V9
Chemical Name:
1H-Pyrazole, 1-[2-(1-pyrrolidinyl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1000802-52-7
Molecular Formula:
C15H26BN3O2
Molecular Weight:
291.1968
MDL Number:
MFCD16659795
IUPAC Name:
1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)13-11-17-19(12-13)10-9-18-7-5-6-8-18/h11-12H,5-10H2,1-4H3
InChI Key:
LVIRZMJTRPDFGU-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)CCN1CCCC1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.212g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.202g/mol
Monoisotopic Mass:
291.212g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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