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Home > Boronic Acids > 1217500-86-1
1217500-86-1 | Boronic acid, B-[2-(phenylmethoxy)-5-pyrimidinyl]-
CAS No: 1217500-86-1 Catalog No: AG0015QN MDL No:MFCD07375141
Product Description
Catalog Number:
AG0015QN
Chemical Name:
Boronic acid, B-[2-(phenylmethoxy)-5-pyrimidinyl]-
CAS Number:
1217500-86-1
Molecular Formula:
C11H11BN2O3
Molecular Weight:
230.0276
MDL Number:
MFCD07375141
IUPAC Name:
(2-phenylmethoxypyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C11H11BN2O3/c15-12(16)10-6-13-11(14-7-10)17-8-9-4-2-1-3-5-9/h1-7,15-16H,8H2
InChI Key:
CYHDQODLSLRGRH-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)OCc1ccccc1)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.03g/mol
Monoisotopic Mass:
230.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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