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Home > Boronic Acids > 1083326-41-3
1083326-41-3 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole-1-acetic acid
CAS No: 1083326-41-3 Catalog No: AG0083OQ MDL No:MFCD16660234
Product Description
Catalog Number:
AG0083OQ
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole-1-acetic acid
CAS Number:
1083326-41-3
Molecular Formula:
C11H17BN2O4
Molecular Weight:
252.0747
MDL Number:
MFCD16660234
IUPAC Name:
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetic acid
InChI:
InChI=1S/C11H17BN2O4/c1-10(2)11(3,4)18-12(17-10)8-5-13-14(6-8)7-9(15)16/h5-6H,7H2,1-4H3,(H,15,16)
InChI Key:
IBRLSABGLKHIKN-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.077g/mol
Monoisotopic Mass:
252.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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