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Home > Boronic Acids > 913835-44-6
913835-44-6 | 4-(4-(2-HYDROXYETHYL)PIPERAZINE-1-CARBONYL)PHENYLBORONIC ACID
CAS No: 913835-44-6 Catalog No: AG00GTCU MDL No:MFCD09027218
Product Description
Catalog Number:
AG00GTCU
Chemical Name:
4-(4-(2-HYDROXYETHYL)PIPERAZINE-1-CARBONYL)PHENYLBORONIC ACID
CAS Number:
913835-44-6
Molecular Formula:
C13H20BClN2O4
Molecular Weight:
314.5729
MDL Number:
MFCD09027218
IUPAC Name:
[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C13H19BN2O4.ClH/c17-10-9-15-5-7-16(8-6-15)13(18)11-1-3-12(4-2-11)14(19)20;/h1-4,17,19-20H,5-10H2;1H
InChI Key:
VZGUMMZRYDMYMP-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)C(=O)c1ccc(cc1)B(O)O.Cl
Properties
Complexity:
314
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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