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Home > Boronic Acids > 959585-44-5
959585-44-5 | methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
CAS No: 959585-44-5 Catalog No: AG00IJOE MDL No:MFCD16660239
Product Description
Catalog Number:
AG00IJOE
Chemical Name:
methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
CAS Number:
959585-44-5
Molecular Formula:
C12H19BN2O4
Molecular Weight:
266.1013
MDL Number:
MFCD16660239
IUPAC Name:
methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
InChI:
InChI=1S/C12H19BN2O4/c1-11(2)12(3,4)19-13(18-11)9-6-14-15(7-9)8-10(16)17-5/h6-7H,8H2,1-5H3
InChI Key:
WNEGZRZFYCBUGX-UHFFFAOYSA-N
SMILES:
COC(=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:
266.144g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.104g/mol
Monoisotopic Mass:
266.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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