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Home > Boronic Acids > 1072945-81-3
1072945-81-3 | (1-(6-Chloropyrimidin-4-yl)-1H-pyrazol-4-yl)boronic acid
CAS No: 1072945-81-3 Catalog No: AG003D1U MDL No:MFCD09972097
Product Description
Catalog Number:
AG003D1U
Chemical Name:
(1-(6-Chloropyrimidin-4-yl)-1H-pyrazol-4-yl)boronic acid
CAS Number:
1072945-81-3
Molecular Formula:
C7H6BClN4O2
Molecular Weight:
224.4121
MDL Number:
MFCD09972097
IUPAC Name:
[1-(6-chloropyrimidin-4-yl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C7H6BClN4O2/c9-6-1-7(11-4-10-6)13-3-5(2-12-13)8(14)15/h1-4,14-15H
InChI Key:
FINXKFQNFLSJBL-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)n1ncc(c1)B(O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.411g/mol
Monoisotopic Mass:
224.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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