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Home > Boronic Acids > 1308298-23-8
1308298-23-8 | Boronic acid, B-[2-(trifluoromethyl)-5-pyrimidinyl]-
CAS No: 1308298-23-8 Catalog No: AG000UZ8 MDL No:MFCD10696932
Product Description
Catalog Number:
AG000UZ8
Chemical Name:
Boronic acid, B-[2-(trifluoromethyl)-5-pyrimidinyl]-
CAS Number:
1308298-23-8
Molecular Formula:
C5H4BF3N2O2
Molecular Weight:
191.9037
MDL Number:
MFCD10696932
IUPAC Name:
[2-(trifluoromethyl)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C5H4BF3N2O2/c7-5(8,9)4-10-1-3(2-11-4)6(12)13/h1-2,12-13H
InChI Key:
OEZMIKKBMMAABO-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)C(F)(F)F)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.904g/mol
Monoisotopic Mass:
192.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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