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1346245-52-0 | N-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamide
CAS No: 1346245-52-0 Catalog No: AG00IM1Y MDL No:
Product Description
Catalog Number:
AG00IM1Y
Chemical Name:
N-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamide
CAS Number:
1346245-52-0
Molecular Formula:
C12H20BN3O3
Molecular Weight:
265.1165
IUPAC Name:
N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide
InChI:
InChI=1S/C12H20BN3O3/c1-11(2)12(3,4)19-13(18-11)9-6-15-16(7-9)8-10(17)14-5/h6-7H,8H2,1-5H3,(H,14,17)
InChI Key:
CBACZCQOYFWCOQ-UHFFFAOYSA-N
SMILES:
CNC(=O)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.16g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.12g/mol
Monoisotopic Mass:
265.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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