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5- (2,5-dibromophenyl) oxazole

CAT: 0127-OR1086888Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1086888Size:1 g
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CAS Number
2013263-27-7
MDL Number
MFCD32631913
Purity
97%
Smiles
C1 (ccc (c (c1) c1ocnc1) Br) Br

Chemical Information

5-(2,5-Dibromophenyl)oxazole
CAS Number2013263-27-7
PubChem CID91576358
IUPAC Name5-(2,5-dibromophenyl)-1,3-oxazole
Molecular FormulaC9H5Br2NO
Molecular Weight302.95
XLogP3.4
Topological Polar Surface Area26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity179
SMILES
C1=CC(=C(C=C1Br)C2=CN=CO2)Br
InChI
InChI=1S/C9H5Br2NO/c10-6-1-2-8(11)7(3-6)9-4-12-5-13-9/h1-5H
InChIKey
QIWHDGXDPHSKFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,5-Dibromophenyl)oxazole
CAS: 2013263-27-7
CID: 91576358
Formula: C9H5Br2NO
MW: 302.95
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.95
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass302.87174
Monoisotopic Mass300.87379
Topological Polar Surface Area26 Ų
Heavy Atom Count13
Formal Charge0
Complexity179
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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