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157695-17-5 | Oxazole, 2-(4-bromophenyl)-5-methyl-
CAS No: 157695-17-5 Catalog No: AG001PM9 MDL No:
Product Description
Catalog Number:
AG001PM9
Chemical Name:
Oxazole, 2-(4-bromophenyl)-5-methyl-
CAS Number:
157695-17-5
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
IUPAC Name:
2-(4-bromophenyl)-5-methyl-1,3-oxazole
InChI:
InChI=1S/C10H8BrNO/c1-7-6-12-10(13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChI Key:
KOEXQNYWTLAEKD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ncc(o1)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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