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Home > Boronic Acids > 763120-62-3
763120-62-3 | 4-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid
CAS No: 763120-62-3 Catalog No: AG00G9YG MDL No:MFCD22587891
Product Description
Catalog Number:
AG00G9YG
Chemical Name:
4-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid
CAS Number:
763120-62-3
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
MDL Number:
MFCD22587891
IUPAC Name:
[4-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H19BN2O2/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17/h2-5,16-17H,6-10H2,1H3
InChI Key:
JWRMKWKJAQFZKF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CN1CCN(CC1)C)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.154g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.106g/mol
Monoisotopic Mass:
234.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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