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189120-01-2 | Oxazole, 2-(4-bromophenyl)-4,5-dihydro-
CAS No: 189120-01-2 Catalog No: AG002HWT MDL No:
Product Description
Catalog Number:
AG002HWT
Chemical Name:
Oxazole, 2-(4-bromophenyl)-4,5-dihydro-
CAS Number:
189120-01-2
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
IUPAC Name:
2-(4-bromophenyl)-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C9H8BrNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChI Key:
OHJDDVYUQCSBSG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1=NCCO1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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