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N- (2-Bromoethoxy) phthalimide

CAT: 0024-sc-391754Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-391754Size:1 g
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CAS Number
5181-35-1

Chemical Information

1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethoxy)-
CAS Number5181-35-1
PubChem CID199875
IUPAC Name2-(2-bromoethoxy)isoindole-1,3-dione
Molecular FormulaC10H8BrNO3
Molecular Weight270.08
XLogP2.1
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity258
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OCCBr
InChI
InChI=1S/C10H8BrNO3/c11-5-6-15-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChIKey
OCWDBKQNNKCYCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethoxy)-
CAS: 5181-35-1
CID: 199875
Formula: C10H8BrNO3
MW: 270.08
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.08
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass268.96876
Monoisotopic Mass268.96876
Topological Polar Surface Area46.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity258
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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