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Home > Boronic Acids > 1820966-51-5
1820966-51-5 | Boronic acid, B-[2-(4,4-difluoro-1-piperidinyl)-5-pyrimidinyl]-
CAS No: 1820966-51-5 Catalog No: AG0023CR MDL No:
Product Description
Catalog Number:
AG0023CR
Chemical Name:
Boronic acid, B-[2-(4,4-difluoro-1-piperidinyl)-5-pyrimidinyl]-
CAS Number:
1820966-51-5
Molecular Formula:
C9H12BF2N3O2
Molecular Weight:
243.0183
IUPAC Name:
[2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C9H12BF2N3O2/c11-9(12)1-3-15(4-2-9)8-13-5-7(6-14-8)10(16)17/h5-6,16-17H,1-4H2
InChI Key:
JNZKLRAPVLOTCM-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)N1CCC(CC1)(F)F)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.021g/mol
Monoisotopic Mass:
243.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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