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Home > Fluorides > 133039-85-7
133039-85-7 | 2-Butyne-1,4-dione, 1,4-bis(4-fluorophenyl)-
CAS No: 133039-85-7 Catalog No: AG0011JP MDL No:
Product Description
Catalog Number:
AG0011JP
Chemical Name:
2-Butyne-1,4-dione, 1,4-bis(4-fluorophenyl)-
CAS Number:
133039-85-7
Molecular Formula:
C16H8F2O2
Molecular Weight:
270.2303
IUPAC Name:
1,4-bis(4-fluorophenyl)but-2-yne-1,4-dione
InChI:
InChI=1S/C16H8F2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-8H
InChI Key:
SVCRVYWVHBHWOM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)C#CC(=O)c1ccc(cc1)F
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.049g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.235g/mol
Monoisotopic Mass:
270.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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