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Home > Boronic Acids > 89641-18-9
89641-18-9 | 2,4-Dimethoxyprimidine-5-Boronic Acid
CAS No: 89641-18-9 Catalog No: AG0032ZN MDL No:MFCD01318985
Product Description
Catalog Number:
AG0032ZN
Chemical Name:
2,4-Dimethoxyprimidine-5-Boronic Acid
CAS Number:
89641-18-9
Molecular Formula:
C6H9BN2O4
Molecular Weight:
183.9577
MDL Number:
MFCD01318985
IUPAC Name:
(2,4-dimethoxypyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3
InChI Key:
LKGKUACPLXCVOF-UHFFFAOYSA-N
SMILES:
COc1nc(OC)ncc1B(O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.958g/mol
Monoisotopic Mass:
184.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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