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5-Bromo-2-hydroxypyrimidine

CAT: 0572-TRC-B684475-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B684475-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38353-06-9
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Oc1ncc(Br)cn1
Molecular Formula
C4 H3 Br N2 O
Molecular Weight
174.98
InChI
InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
Additionnal Information
IUPAC name: 5-bromopyrimidin-2-ol
Shipping Conditions
Room Temperature

Chemical Information

5-Bromo-2(1H)-pyrimidinone

inhibits yeast cytosine deaminase; structure given in first source

CAS Number38353-06-9
PubChem CID101494
IUPAC Name5-bromo-1H-pyrimidin-2-one
Molecular FormulaC4H3BrN2O
Molecular Weight174.98
XLogP0.2
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity173
SMILES
C1=C(C=NC(=O)N1)Br
InChI
InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChIKey
VTUDATOSQGYWML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2(1H)-pyrimidinone
CAS: 38353-06-9
CID: 101494
Formula: C4H3BrN2O
MW: 174.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.98
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass173.94288
Monoisotopic Mass173.94288
Topological Polar Surface Area41.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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