CAS 652-12-0 | 4,5,6,7-Tetrafluoroisobenzofuran-1,3-dione | CAS Number 652-12-0

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652-12-0 | 4,5,6,7-Tetrafluoroisobenzofuran-1,3-dione

CAS No: 652-12-0 Catalog No: AG003UOL MDL No:MFCD00039697

Product Description

Catalog Number:

AG003UOL

Chemical Name:

4,5,6,7-Tetrafluoroisobenzofuran-1,3-dione

CAS Number:

652-12-0

Molecular Formula:

C8F4O3

Molecular Weight:

220.0774

MDL Number:

MFCD00039697

IUPAC Name:

4,5,6,7-tetrafluoro-2-benzofuran-1,3-dione

InChI:

InChI=1S/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11

InChI Key:

BJDDKZDZTHIIJB-UHFFFAOYSA-N

SMILES:

O=C1OC(=O)c2c1c(F)c(c(c2F)F)F

EC Number:

211-485-5

Properties

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.978g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.079g/mol

Monoisotopic Mass:

219.978g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Synthesis and antimycobacterial activity of some phthalimide derivatives.	Bioorganic & medicinal chemistry 20120701
2-[N-(2,4-Difluoro-phen-yl)carbamo-yl]-3,4,5,6-tetra-fluoro-benzoic acid.	Acta crystallographica. Section E, Structure reports online 20091101
Matrix isolation and spectroscopic characterization of perfluorinated ortho- and meta-benzyne.	Chemistry (Weinheim an der Bergstrasse, Germany) 20010504