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Home > Boronic Acids > 1133971-47-7
1133971-47-7 | 4H-1,3,6,2-Dioxazaborocine, tetrahydro-2-(6-methoxy-2-pyridinyl)-6-phenyl-
CAS No: 1133971-47-7 Catalog No: AG0008EU MDL No:
Product Description
Catalog Number:
AG0008EU
Chemical Name:
4H-1,3,6,2-Dioxazaborocine, tetrahydro-2-(6-methoxy-2-pyridinyl)-6-phenyl-
CAS Number:
1133971-47-7
Molecular Formula:
C16H19BN2O3
Molecular Weight:
298.1447
IUPAC Name:
2-[N-(2-hydroxyethyl)anilino]ethoxy-(6-methoxypyridin-2-yl)borinic acid
InChI:
InChI=1S/C16H21BN2O4/c1-22-16-9-5-8-15(18-16)17(21)23-13-11-19(10-12-20)14-6-3-2-4-7-14/h2-9,20-21H,10-13H2,1H3
InChI Key:
ICSLQUACEFYLML-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)B1OCCN(CCO1)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.164g/mol
Monoisotopic Mass:
316.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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