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17573-78-3 | Pyrimidine, 4,5,6-trifluoro-
CAS No: 17573-78-3 Catalog No: AG00215I MDL No:MFCD05662363
Product Description
Catalog Number:
AG00215I
Chemical Name:
Pyrimidine, 4,5,6-trifluoro-
CAS Number:
17573-78-3
Molecular Formula:
C4HF3N2
Molecular Weight:
134.0593
MDL Number:
MFCD05662363
IUPAC Name:
4,5,6-trifluoropyrimidine
InChI:
InChI=1S/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChI Key:
AQKOJKCYBNUFLU-UHFFFAOYSA-N
SMILES:
Fc1c(F)ncnc1F
Properties
Complexity:
89.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.061g/mol
Monoisotopic Mass:
134.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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