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Home > Boronic Acids > 1312921-38-2
1312921-38-2 | 4-(2-(4-methylpiperazin-1-yl)ethoxy)phenylboronic acid
CAS No: 1312921-38-2 Catalog No: AG009YIG MDL No:
Product Description
Catalog Number:
AG009YIG
Chemical Name:
4-(2-(4-methylpiperazin-1-yl)ethoxy)phenylboronic acid
CAS Number:
1312921-38-2
Molecular Formula:
C13H21BN2O3
Molecular Weight:
264.1284
IUPAC Name:
[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H21BN2O3/c1-15-6-8-16(9-7-15)10-11-19-13-4-2-12(3-5-13)14(17)18/h2-5,17-18H,6-11H2,1H3
InChI Key:
JHNJMVDIFIIIMX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCCN1CCN(CC1)C)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.165g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.132g/mol
Monoisotopic Mass:
264.165g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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