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Home > Boronic Acids > 1704069-65-7
1704069-65-7 | (4-(1-(4-Methylpiperazin-1-yl)ethyl)phenyl)boronic acid
CAS No: 1704069-65-7 Catalog No: AG00ARCB MDL No:
Product Description
Catalog Number:
AG00ARCB
Chemical Name:
(4-(1-(4-Methylpiperazin-1-yl)ethyl)phenyl)boronic acid
CAS Number:
1704069-65-7
Molecular Formula:
C13H21BN2O2
Molecular Weight:
248.1290
IUPAC Name:
[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]boronic acid
InChI:
InChI=1S/C13H21BN2O2/c1-11(16-9-7-15(2)8-10-16)12-3-5-13(6-4-12)14(17)18/h3-6,11,17-18H,7-10H2,1-2H3
InChI Key:
GKJJUVULSZUPLG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(N1CCN(CC1)C)C)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.17g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.133g/mol
Monoisotopic Mass:
248.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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