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Home > Boronic Acids > 675880-39-4
675880-39-4 | 4,6-DIMETHOXY-1,3,5-TRIAZIN-2-YLBORONIC ACID
CAS No: 675880-39-4 Catalog No: AG006E26 MDL No:
Product Description
Catalog Number:
AG006E26
Chemical Name:
4,6-DIMETHOXY-1,3,5-TRIAZIN-2-YLBORONIC ACID
CAS Number:
675880-39-4
Molecular Formula:
C5H8BN3O4
Molecular Weight:
184.9457
IUPAC Name:
(4,6-dimethoxy-1,3,5-triazin-2-yl)boronic acid
InChI:
InChI=1S/C5H8BN3O4/c1-12-4-7-3(6(10)11)8-5(9-4)13-2/h10-11H,1-2H3
InChI Key:
FUIPMSLQLPEKQC-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc(n1)B(O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.946g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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