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Home > Boronic Acids > 1006875-83-7
1006875-83-7 | 1H-Pyrazole-1-acetic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1006875-83-7 Catalog No: AG0002MR MDL No:MFCD22570725
Product Description
Catalog Number:
AG0002MR
Chemical Name:
1H-Pyrazole-1-acetic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1006875-83-7
Molecular Formula:
C15H25BN2O4
Molecular Weight:
308.1810
MDL Number:
MFCD22570725
IUPAC Name:
tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
InChI:
InChI=1S/C15H25BN2O4/c1-13(2,3)20-12(19)10-18-9-11(8-17-18)16-21-14(4,5)15(6,7)22-16/h8-9H,10H2,1-7H3
InChI Key:
UZSRXQQCEWMKJL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.191g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.185g/mol
Monoisotopic Mass:
308.191g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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