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72571-06-3 | 5-(4-Bromophenyl);oxazole
CAS No: 72571-06-3 Catalog No: AG003M5C MDL No:MFCD02682015
Product Description
Catalog Number:
AG003M5C
Chemical Name:
5-(4-Bromophenyl);oxazole
CAS Number:
72571-06-3
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD02682015
IUPAC Name:
5-(4-bromophenyl)-1,3-oxazole
InChI:
InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
InChI Key:
FEBCQOHEPVLTLY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ocnc1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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