766-38-1 - Angene

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3,4-Dibromo-5-hydroxyfuran-2(5h)-one

CAS No.:

766-38-1

Catalog Number:

AG00G9SP

Molecular Formula:

C4H2Br2O3

Molecular Weight:

257.8649

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1g

97%

1 week

United States

$285

- +

5g

97%

1 week

United States

$778

- +

25g

97%

1 week

United States

$2259

- +

Product Description

Catalog Number:

AG00G9SP

Chemical Name:

3,4-Dibromo-5-hydroxyfuran-2(5h)-one

CAS Number:

766-38-1

Molecular Formula:

C4H2Br2O3

Molecular Weight:

257.8649

MDL Number:

MFCD06738268

IUPAC Name:

3,4-dibromo-2-hydroxy-2H-furan-5-one

InChI:

InChI=1S/C4H2Br2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H

InChI Key:

PKDBSOOYVOEUQR-UHFFFAOYSA-N

SMILES:

OC1OC(=O)C(=C1Br)Br

EC Number:

212-164-2

NSC Number:

253513

Properties

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

0

Defined Bond Stereocenter Count:

0

Exact Mass:

257.835g/mol

Formal Charge:

0

Heavy Atom Count:

9

Hydrogen Bond Acceptor Count:

3

Hydrogen Bond Donor Count:

1

Isotope Atom Count:

0

Molecular Weight:

257.865g/mol

Monoisotopic Mass:

255.837g/mol

Rotatable Bond Count:

0

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

1

Undefined Bond Stereocenter Count:

0

XLogP3:

1

Literature

Title	Journal
Mutagenic analysis of six disinfection by-products in the Tk gene of mouse lymphoma cells.	Journal of hazardous materials 20110615
Reactivity of mucohalic acids in water.	Water research 20110101
Application of sec-butanol to the derivatization of hydroxyfuranones.	Journal of AOAC International 20010101

Properties