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Home > Boronic Acids > 1217501-20-6
1217501-20-6 | Boronic acid, B-[1-(2,2-diethoxyethyl)-1H-pyrazol-4-yl]-
CAS No: 1217501-20-6 Catalog No: AG0015SJ MDL No:MFCD12756418
Product Description
Catalog Number:
AG0015SJ
Chemical Name:
Boronic acid, B-[1-(2,2-diethoxyethyl)-1H-pyrazol-4-yl]-
CAS Number:
1217501-20-6
Molecular Formula:
C9H17BN2O4
Molecular Weight:
228.0533
MDL Number:
MFCD12756418
IUPAC Name:
[1-(2,2-diethoxyethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C9H17BN2O4/c1-3-15-9(16-4-2)7-12-6-8(5-11-12)10(13)14/h5-6,9,13-14H,3-4,7H2,1-2H3
InChI Key:
QXGDFMFEWNRPLV-UHFFFAOYSA-N
SMILES:
CCOC(Cn1ncc(c1)B(O)O)OCC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.128g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.055g/mol
Monoisotopic Mass:
228.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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