1-Bromoanthraquinone

CAT: 0127-OR1027453-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027453-01Size:100 mg

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CAS Number

632-83-7

Synonyms

1-bromoanthracene-9,10-dione

Purity

98%

Smiles

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Br

Chemical Information

1-Bromoanthraquinone

CAS Number	632-83-7
PubChem CID	12444
IUPAC Name	1-bromoanthracene-9,10-dione
Molecular Formula	C14H7BrO2
Molecular Weight	287.11
XLogP	4
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	352

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Br

InChI

InChI=1S/C14H7BrO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H

InChIKey

CXTPIHZYOGDSLV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 632-83-7

CID: 12444

Formula: C14H7BrO2

MW: 287.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.11
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	285.96294
Monoisotopic Mass	285.96294
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	352
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

Catalog	Name
sc-484655	1-Bromoanthraquinone
sc-333765	1-Benzoylamino-4-bromoanthraquinone
416296-01	2-Bromoanthraquinone
RM-B181501-01	1-Amino-4-Bromoanthraquinone-2-Sulfonic Acid Sodium Salt
297272-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
DFA88480-01	1-Bromobicyclo[1.1.1]pentane