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Home > Boronic Acids > 1217501-45-5
1217501-45-5 | Boronic acid, B-[1-(2,6-dichlorophenyl)-1H-pyrazol-4-yl]-
CAS No: 1217501-45-5 Catalog No: AG0015T5 MDL No:MFCD15143458
Product Description
Catalog Number:
AG0015T5
Chemical Name:
Boronic acid, B-[1-(2,6-dichlorophenyl)-1H-pyrazol-4-yl]-
CAS Number:
1217501-45-5
Molecular Formula:
C9H7BCl2N2O2
Molecular Weight:
256.8811
MDL Number:
MFCD15143458
IUPAC Name:
[1-(2,6-dichlorophenyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C9H7BCl2N2O2/c11-7-2-1-3-8(12)9(7)14-5-6(4-13-14)10(15)16/h1-5,15-16H
InChI Key:
AINBYBFLMMGXBO-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1n1ncc(c1)B(O)O)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.877g/mol
Monoisotopic Mass:
255.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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