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5-Bromodihydrouracil

CAT: 0572-TRC-B683760-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B683760-1GSize:1 g
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CAS Number
1193-76-6
Synonyms
5-Bromodihydrouracil
Hazard Statement
May be harmful if swallowed.
Smiles
BrC1CNC(=O)NC1=O
Molecular Formula
C4 H5 Br N2 O2
Molecular Weight
192.999
InChI
InChI=1S/C4H5BrN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)
Additionnal Information
IUPAC name: 5-bromo-1,3-diazinane-2,4-dione
Shipping Conditions
Room Temperature

Chemical Information

5-Bromo-5,6-dihydrouracil

structure given in first source

CAS Number1193-76-6
PubChem CID97819
IUPAC Name5-bromo-1,3-diazinane-2,4-dione
Molecular FormulaC4H5BrN2O2
Molecular Weight193.00
XLogP-0.3
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity159
SMILES
C1C(C(=O)NC(=O)N1)Br
InChI
InChI=1S/C4H5BrN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)
InChIKey
ZCDARRSUPCSLRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-5,6-dihydrouracil
CAS: 1193-76-6
CID: 97819
Formula: C4H5BrN2O2
MW: 193.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.00
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass191.95344
Monoisotopic Mass191.95344
Topological Polar Surface Area58.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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