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Home > Boronic Acids > 1003043-55-7
1003043-55-7 | Boronic acid, B-(2-ethoxy-5-pyrimidinyl)-
CAS No: 1003043-55-7 Catalog No: AG0001JE MDL No:MFCD07375134
Product Description
Catalog Number:
AG0001JE
Chemical Name:
Boronic acid, B-(2-ethoxy-5-pyrimidinyl)-
CAS Number:
1003043-55-7
Molecular Formula:
C6H9BN2O3
Molecular Weight:
167.9583
MDL Number:
MFCD07375134
IUPAC Name:
(2-ethoxypyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3
InChI Key:
VTPBKJXRYUDPAJ-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cn1)B(O)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.959g/mol
Monoisotopic Mass:
168.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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