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2,2-Dibromo-3-nitropropionamide

CAT: 0572-TRC-D426253-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D426253-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109793-93-3
Hazard Statement
No Data Available
Smiles
NC(=O)C(Br)(Br)CN(=O)=O
Molecular Formula
C3 H4 Br2 N2 O3
Molecular Weight
275.884
InChI
InChI=1S/C3H4Br2N2O3/c4-3(5,2(6)8)1-7(9)10/h1H2,(H2,6,8)
Additionnal Information
IUPAC name: 2,2-dibromo-3-nitropropanamide
Shipping Conditions
Room Temperature

Chemical Information

2,2-Dibromo-3-nitropropionamide
CAS Number109793-93-3
PubChem CID15009429
IUPAC Name2,2-dibromo-3-nitropropanamide
Molecular FormulaC3H4Br2N2O3
Molecular Weight275.88
XLogP0.4
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity164
SMILES
C(C(C(=O)N)(Br)Br)[N+](=O)[O-]
InChI
InChI=1S/C3H4Br2N2O3/c4-3(5,2(6)8)1-7(9)10/h1H2,(H2,6,8)
InChIKey
CKEKCWHEPUAYPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dibromo-3-nitropropionamide
CAS: 109793-93-3
CID: 15009429
Formula: C3H4Br2N2O3
MW: 275.88
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.88
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass275.85682
Monoisotopic Mass273.85887
Topological Polar Surface Area88.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity164
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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