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Pyrrolidone hydrotribromide

CAT: 0926-FP158783-01Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FP158783-01Size:0.5 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22580-55-8
MDL Number
MFCD00082241
Smiles
C1CC (=O) NC1.Br[Br-]Br
Molecular Formula
C12H22Br3N3O3
Molecular Weight
496.03 g/mol
Controlled
No

Chemical Information

CID 15287049
CAS Number22580-55-8
PubChem CID15287049
Molecular FormulaC4H7Br3NO-
Molecular Weight324.82
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge-1
Complexity69
SMILES
C1CC(=O)NC1.Br[Br-]Br
InChI
InChI=1S/C4H7NO.Br3/c6-4-2-1-3-5-4;1-3-2/h1-3H2,(H,5,6);/q;-1
InChIKey
OTYIQJFSTDUAJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 15287049
CAS: 22580-55-8
CID: 15287049
Formula: C4H7Br3NO-
MW: 324.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.82
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass323.80573
Monoisotopic Mass321.80778
Topological Polar Surface Area29.1 Ų
Heavy Atom Count9
Formal Charge-1
Complexity69.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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