8-Bromoguanine

CAT: 0063-60328906-1gSize: 1 gDry Ice: NoHazardous: No

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CAT#:0063-60328906-1gSize:1 g

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CAS Number

3066-84-0

Molecular Formula

C5H4BrN5O

Molecular Weight

230.02

Formulation

C5H4BrN5O

Chemical Information

8-Bromoguanine

structure in first source

CAS Number	3066-84-0
PubChem CID	135408829
IUPAC Name	2-amino-8-bromo-1,7-dihydropurin-6-one
Molecular Formula	C5H4BrN5O
Molecular Weight	230.02
XLogP	0
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	254

SMILES

C12=C(N=C(NC1=O)N)N=C(N2)Br

InChI

InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)

InChIKey

CRYCZDRIXVHNQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3066-84-0

CID: 135408829

Formula: C5H4BrN5O

MW: 230.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.02
XLogP3	0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	228.95992
Monoisotopic Mass	228.95992
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	254
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
16084167-5g	8-Bromoguanosine
16084167	8-Bromoguanosine
23132334-01	8-Hydroxyquinoline (8-Quinolinol)
23132334-500g	8-Hydroxyquinoline (8-Quinolinol)
23132334-1kg	8-Hydroxyquinoline (8-Quinolinol)
33137250-01	8-Chlorotheophylline
62830545	8-Azaadenosine
33949827-1g	8-Bromoquinoline
15798206	8-Bromoadenine
15591729	8-Bromoadenosine