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Home > Boronic Acids > 903550-26-5
903550-26-5 | 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester
CAS No: 903550-26-5 Catalog No: AG0032JA MDL No:MFCD09037501
Product Description
Catalog Number:
AG0032JA
Chemical Name:
1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester
CAS Number:
903550-26-5
Molecular Formula:
C14H23BN2O3
Molecular Weight:
278.1550
MDL Number:
MFCD09037501
IUPAC Name:
1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3
InChI Key:
ZZRFDLHBMBHJTI-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccnn1C1CCCCO1
EC Number:
640-188-7
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.18g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.159g/mol
Monoisotopic Mass:
278.18g/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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