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Home > Bromides > 1053657-05-8
1053657-05-8 | Methyl 5-(2-bromophenyl)isoxazole-3-carboxylate
CAS No: 1053657-05-8 Catalog No: AG01F9PE MDL No:
Product Description
Catalog Number:
AG01F9PE
Chemical Name:
Methyl 5-(2-bromophenyl)isoxazole-3-carboxylate
CAS Number:
1053657-05-8
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
IUPAC Name:
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3
InChI Key:
CZIAHSKBAVGONL-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1ccccc1Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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