2,5-Dibromobenzoquinone

CAT: 1299-RG-A260576-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260576-01Size:10 mg

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CAS Number

1633-14-3

Synonyms

2,5-Dibromobenzoquinone

Molecular Formula

C6H2Br2O2

Molecular Weight

265.89

Product Name Synonym

2,5-Dibromobenzoquinone

Chemical Information

2,5-Dibromo-1,4-benzoquinone

CAS Number	1633-14-3
PubChem CID	543093
IUPAC Name	2,5-dibromocyclohexa-2,5-diene-1,4-dione
Molecular Formula	C6H2Br2O2
Molecular Weight	265.89
XLogP	1.8
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	235

SMILES

C1=C(C(=O)C=C(C1=O)Br)Br

InChI

InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H

InChIKey

KNPAQJBQOIAPBP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1633-14-3

CID: 543093

Formula: C6H2Br2O2

MW: 265.89

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.89
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	265.84011
Monoisotopic Mass	263.84215
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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