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Home > Boronic Acids > 957060-95-6
957060-95-6 | 3-(4-(2-Hydroxyethyl)piperazine-1-carbonyl)phenylboronic acid, HCl
CAS No: 957060-95-6 Catalog No: AG00IJDG MDL No:MFCD09027253
Product Description
Catalog Number:
AG00IJDG
Chemical Name:
3-(4-(2-Hydroxyethyl)piperazine-1-carbonyl)phenylboronic acid, HCl
CAS Number:
957060-95-6
Molecular Formula:
C13H20BClN2O4
Molecular Weight:
314.5729
MDL Number:
MFCD09027253
IUPAC Name:
[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C13H19BN2O4.ClH/c17-9-8-15-4-6-16(7-5-15)13(18)11-2-1-3-12(10-11)14(19)20;/h1-3,10,17,19-20H,4-9H2;1H
InChI Key:
RDZDATLSEKCDFB-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)C(=O)c1cccc(c1)B(O)O.Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
314.573g/mol
Monoisotopic Mass:
314.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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