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Home > Boronic Acids > 850568-68-2
850568-68-2 | (4-(5,6-Dihydro-4H-1,3-oxazin-2-yl)phenyl)boronic acid
CAS No: 850568-68-2 Catalog No: AG003BU1 MDL No:MFCD06659833
Product Description
Catalog Number:
AG003BU1
Chemical Name:
(4-(5,6-Dihydro-4H-1,3-oxazin-2-yl)phenyl)boronic acid
CAS Number:
850568-68-2
Molecular Formula:
C10H12BNO3
Molecular Weight:
205.0182
MDL Number:
MFCD06659833
IUPAC Name:
[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO3/c13-11(14)9-4-2-8(3-5-9)10-12-6-1-7-15-10/h2-5,13-14H,1,6-7H2
InChI Key:
OASSAUSIPZASKK-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C1=NCCCO1)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.02g/mol
Monoisotopic Mass:
205.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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