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Home > Boronic Acids > 1798304-51-4
1798304-51-4 | (4-cyclopropyl-6-methoxypyrimidin-5-yl)boronic acid
CAS No: 1798304-51-4 Catalog No: AG01DIKW MDL No:
Product Description
Catalog Number:
AG01DIKW
Chemical Name:
(4-cyclopropyl-6-methoxypyrimidin-5-yl)boronic acid
CAS Number:
1798304-51-4
Molecular Formula:
C8H11BN2O3
Molecular Weight:
193.9955
IUPAC Name:
(4-cyclopropyl-6-methoxypyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C8H11BN2O3/c1-14-8-6(9(12)13)7(5-2-3-5)10-4-11-8/h4-5,12-13H,2-3H2,1H3
InChI Key:
BYXHEUWWJYYRNH-UHFFFAOYSA-N
SMILES:
COc1ncnc(c1B(O)O)C1CC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.997g/mol
Monoisotopic Mass:
194.086g/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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