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Home > Boronic Acids > 1339890-99-1
1339890-99-1 | 1-(3-Oxetanyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1339890-99-1 Catalog No: AG003AGV MDL No:MFCD21337762
Product Description
Catalog Number:
AG003AGV
Chemical Name:
1-(3-Oxetanyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1339890-99-1
Molecular Formula:
C12H19BN2O3
Molecular Weight:
250.1019
MDL Number:
MFCD21337762
IUPAC Name:
1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)9-5-14-15(6-9)10-7-16-8-10/h5-6,10H,7-8H2,1-4H3
InChI Key:
KIYMAKQVFHPNGB-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)C1COC1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.149g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.105g/mol
Monoisotopic Mass:
250.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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