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Home > Boronic Acids > 513246-99-6
513246-99-6 | [4-(Piperazin-1-yl)phenyl]boronic acid
CAS No: 513246-99-6 Catalog No: AG00DKG3 MDL No:MFCD09608131
Product Description
Catalog Number:
AG00DKG3
Chemical Name:
[4-(Piperazin-1-yl)phenyl]boronic acid
CAS Number:
513246-99-6
Molecular Formula:
C10H15BN2O2
Molecular Weight:
206.0493
MDL Number:
MFCD09608131
IUPAC Name:
(4-piperazin-1-ylphenyl)boronic acid
InChI:
InChI=1S/C10H15BN2O2/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12,14-15H,5-8H2
InChI Key:
WEKCEGUGFNLQIA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N1CCNCC1)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.052g/mol
Monoisotopic Mass:
206.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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