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Home > Boronic Acids > 1217500-51-0
1217500-51-0 | Boronic acid, B-(6-ethyl-1,6-dihydro-5-pyrimidinyl)-
CAS No: 1217500-51-0 Catalog No: AG0015PH MDL No:MFCD13195641
Product Description
Catalog Number:
AG0015PH
Chemical Name:
Boronic acid, B-(6-ethyl-1,6-dihydro-5-pyrimidinyl)-
CAS Number:
1217500-51-0
Molecular Formula:
C6H11BN2O2
Molecular Weight:
153.9747
MDL Number:
MFCD13195641
IUPAC Name:
(4-ethyl-1,4-dihydropyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C6H11BN2O2/c1-2-6-5(7(10)11)3-8-4-9-6/h3-4,6,10-11H,2H2,1H3,(H,8,9)
InChI Key:
CRLDQXMLQOKGQJ-UHFFFAOYSA-N
SMILES:
CCC1NC=NC=C1B(O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.091g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
153.976g/mol
Monoisotopic Mass:
154.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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