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176961-50-5 | Oxazole, 2-(4-bromophenyl)-
CAS No: 176961-50-5 Catalog No: AG002512 MDL No:MFCD04973403
Product Description
Catalog Number:
AG002512
Chemical Name:
Oxazole, 2-(4-bromophenyl)-
CAS Number:
176961-50-5
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD04973403
IUPAC Name:
2-(4-bromophenyl)-1,3-oxazole
InChI:
InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
InChI Key:
LAPKDKRJQXERIR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ncco1
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
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