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1126779-11-0 | 3,5-Dimethyl-1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1126779-11-0 Catalog No: AG0079CT MDL No:MFCD12031452
Product Description
Catalog Number:
AG0079CT
Chemical Name:
3,5-Dimethyl-1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1126779-11-0
Molecular Formula:
C16H27BN2O3
Molecular Weight:
306.2082
MDL Number:
MFCD12031452
IUPAC Name:
3,5-dimethyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C16H27BN2O3/c1-11-14(17-21-15(3,4)16(5,6)22-17)12(2)19(18-11)13-9-7-8-10-20-13/h13H,7-10H2,1-6H3
InChI Key:
ZNDYJQBCSOGOJQ-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1B1OC(C(O1)(C)C)(C)C)C)C1CCCCO1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.211g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.213g/mol
Monoisotopic Mass:
306.211g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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