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1150654-77-5 | Borate(1-), (1,3-dihydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)trifluoro-, potassium (1:1), (T-4)-
CAS No: 1150654-77-5 Catalog No: AG000FUQ MDL No:MFCD09271782
Product Description
Catalog Number:
AG000FUQ
Chemical Name:
Borate(1-), (1,3-dihydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)trifluoro-, potassium (1:1), (T-4)-
CAS Number:
1150654-77-5
Molecular Formula:
C6H7BF3KN2O2
Molecular Weight:
246.0365
MDL Number:
MFCD09271782
IUPAC Name:
potassium;(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-trifluoroboranuide
InChI:
InChI=1S/C6H7BF3N2O2.K/c1-11-3-4(7(8,9)10)5(13)12(2)6(11)14;/h3H,1-2H3;/q-1;+1
InChI Key:
ZHOBXMTYGILESR-UHFFFAOYSA-N
SMILES:
O=c1n(C)c(=O)n(cc1[B-](F)(F)F)C.[K+]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.038g/mol
Monoisotopic Mass:
246.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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