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Home > Boronic Acids > 1346819-38-2
1346819-38-2 | 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol
CAS No: 1346819-38-2 Catalog No: AG00HTS1 MDL No:MFCD22570728
Product Description
Catalog Number:
AG00HTS1
Chemical Name:
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol
CAS Number:
1346819-38-2
Molecular Formula:
C12H21BN2O3
Molecular Weight:
252.1177
MDL Number:
MFCD22570728
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-2-ol
InChI:
InChI=1S/C12H21BN2O3/c1-9(16)7-15-8-10(6-14-15)13-17-11(2,3)12(4,5)18-13/h6,8-9,16H,7H2,1-5H3
InChI Key:
NMQGFBNAKPAMKE-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.165g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.121g/mol
Monoisotopic Mass:
252.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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