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Home > Boronic Acids > 1256355-17-5
1256355-17-5 | Boronic acid, B-[1-(boronophenylmethyl)-1H-pyrazol-4-yl]-
CAS No: 1256355-17-5 Catalog No: AG000O3R MDL No:MFCD18087687
Product Description
Catalog Number:
AG000O3R
Chemical Name:
Boronic acid, B-[1-(boronophenylmethyl)-1H-pyrazol-4-yl]-
CAS Number:
1256355-17-5
Molecular Formula:
C10H12B2N2O4
Molecular Weight:
245.8353
MDL Number:
MFCD18087687
IUPAC Name:
[1-[borono(phenyl)methyl]pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C10H12B2N2O4/c15-11(16)9-6-13-14(7-9)10(12(17)18)8-4-2-1-3-5-8/h1-7,10,15-18H
InChI Key:
ABNQSLSZKRNDNJ-UHFFFAOYSA-N
SMILES:
OB(C(n1ncc(c1)B(O)O)c1ccccc1)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.836g/mol
Monoisotopic Mass:
246.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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