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88419-05-0 | 2(3H)-Oxazolone, 5-(4-bromophenyl)-
CAS No: 88419-05-0 Catalog No: AG004HUF MDL No:
Product Description
Catalog Number:
AG004HUF
Chemical Name:
2(3H)-Oxazolone, 5-(4-bromophenyl)-
CAS Number:
88419-05-0
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
IUPAC Name:
5-(4-bromophenyl)-3H-1,3-oxazol-2-one
InChI:
InChI=1S/C9H6BrNO2/c10-7-3-1-6(2-4-7)8-5-11-9(12)13-8/h1-5H,(H,11,12)
InChI Key:
DPMXLVLIYFTATJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1c[nH]c(=O)o1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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