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192440-03-2 | Isoxazole, 5-(bromophenylmethyl)-3-ethoxy-4-methyl-
CAS No: 192440-03-2 Catalog No: AG002FYR MDL No:
Product Description
Catalog Number:
AG002FYR
Chemical Name:
Isoxazole, 5-(bromophenylmethyl)-3-ethoxy-4-methyl-
CAS Number:
192440-03-2
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
IUPAC Name:
5-[bromo(phenyl)methyl]-3-ethoxy-4-methyl-1,2-oxazole
InChI:
InChI=1S/C13H14BrNO2/c1-3-16-13-9(2)12(17-15-13)11(14)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChI Key:
ZPWDNZQDIHKDNW-UHFFFAOYSA-N
SMILES:
CCOc1noc(c1C)C(c1ccccc1)Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.164g/mol
Monoisotopic Mass:
295.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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