CAS 117-21-5 | 1,3-Isobenzofurandione, 4-chloro- | CAS Number 117-21-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 117-21-5

117-21-5 | 1,3-Isobenzofurandione, 4-chloro-

CAS No: 117-21-5 Catalog No: AG000DHR MDL No:MFCD00023107

Product Description

Catalog Number:

AG000DHR

Chemical Name:

1,3-Isobenzofurandione, 4-chloro-

CAS Number:

117-21-5

Molecular Formula:

C8H3ClO3

Molecular Weight:

182.5606

MDL Number:

MFCD00023107

IUPAC Name:

4-chloro-2-benzofuran-1,3-dione

InChI:

InChI=1S/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H

InChI Key:

UERPUZBSSSAZJE-UHFFFAOYSA-N

SMILES:

O=C1OC(=O)c2c1c(Cl)ccc2

EC Number:

204-179-8

UNII:

VO7NXT0137

NSC Number:

122937

Properties

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.977g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.559g/mol

Monoisotopic Mass:

181.977g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
[Simultaneous determination of monochlorophthalic anhydride and monochlorophthalic acid in substrates by high performance liquid chromatography].	Se pu = Chinese journal of chromatography 20060901
New fluorescent labels: 4- and 7-chlorofluorescein.	Journal of fluorescence 20051101