Name: Name:5-Isobenzofurancarboxylic acid, 4,7-dichloro-1,3-dihydro-1,3-dioxo-
Brand: Angene
SKU: AG005I2V
Rating: 90 (10 reviews)

5-Isobenzofurancarboxylic acid, 4,7-dichloro-1,3-dihydro-1,3-dioxo-

CAS No.:

81742-10-1

Catalog Number:

AG005I2V

Molecular Formula:

C9H2Cl2O5

Molecular Weight:

261.0152

Catalog Number:

AG005I2V

Chemical Name:

5-Isobenzofurancarboxylic acid, 4,7-dichloro-1,3-dihydro-1,3-dioxo-

CAS Number:

81742-10-1

Molecular Formula:

C9H2Cl2O5

Molecular Weight:

261.0152

MDL Number:

MFCD28962732

IUPAC Name:

4,7-dichloro-1,3-dioxo-2-benzofuran-5-carboxylic acid

InChI:

InChI=1S/C9H2Cl2O5/c10-3-1-2(7(12)13)6(11)5-4(3)8(14)16-9(5)15/h1H,(H,12,13)

InChI Key:

OCUQMPDZMXSVFG-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(Cl)c2c(c1Cl)C(=O)OC2=O

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.928g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.01g/mol

Monoisotopic Mass:

259.928g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1