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116353-73-2 | Butanoic acid, heptafluoro-, 2-pyrimidinyl ester (9CI)
CAS No: 116353-73-2 Catalog No: AG000C9B MDL No:
Product Description
Catalog Number:
AG000C9B
Chemical Name:
Butanoic acid, heptafluoro-, 2-pyrimidinyl ester (9CI)
CAS Number:
116353-73-2
Molecular Formula:
C8H3F7N2O2
Molecular Weight:
292.1104
IUPAC Name:
pyrimidin-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
InChI:
InChI=1S/C8H3F7N2O2/c9-6(10,7(11,12)8(13,14)15)4(18)19-5-16-2-1-3-17-5/h1-3H
InChI Key:
YRIHSYKGBCPGPN-UHFFFAOYSA-N
SMILES:
O=C(C(C(C(F)(F)F)(F)F)(F)F)Oc1ncccn1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.008g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.113g/mol
Monoisotopic Mass:
292.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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